591-27-5 structure, C6H7NO

3-aminophenol

CAS No.

591-27-5

Formula:

C6H7NO

Basic Info

1-Amino-3-Hydroxybenzene is used in the preparation of inhibitors of mammalian carbonic anhydrase isoforms. Also used in the preparation of quinoline tethered fluorescent carbon dots for regulated anticancer discovery.

Formula
C6H7NO
Molecular Weight
109.126
Exact Mass
109.053
LogP
1.5556
PSA
46.25
Synonyms

3-amino-phenol

Fouramine EG

m-Hydroxyaniline

Futramine EG

Phenol, 3-amino-

meta-hydroxyaniline

meta-amino phenol

amino-3-hydroxybenzene

3-Aminophenol

3-Hydroxyaniline

M-AMINOPHENOL

1-Amino-3-hydroxybenzene

Phenol,3-amino

3-Amino-1-hydroxybenzene

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Properties

Appearance & Physical State
white crystals
Density
1.21g/cm3
Boiling Point
164ºC (11 mmHg)
Melting Point
121-124ºC
Flash Point
155ºC
Water Solubility
35 g/L (20 ºC)
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, bases, mineral acids. May be light or air-sensitive.
Storage Condition
Store in a cool, dry place. Keep container closed when not in use.

Safety Info

RTECS
SJ4900000
Safety Statements
S28-S61
WGK Germany
2
Risk Statements
R20/22; R51/53
HS Code
2922299090
RIDADR
UN 2512
Hazard Class
6.1
Packing Group
III
Hazard Codes

MSDS

SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-aminophenol

1.2 Other means of identification

Product number -
Other names m-Hydroxyaniline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Inhalation, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H332 Harmful if inhaled

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
3-aminophenol 3-aminophenol 591-27-5 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes. ACUTE/CHRONIC HAZARDS: This chemical causes irritation of the eyes, skin and mucous membranes. When heated to decomposition it emits toxic fumes.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aniline and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use dry chemical, carbon dioxide, water spray, or alcohol foam extinguishers ... If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors or shows any signs of deforming), withdraw immediately to a secure position ... The only respirators recommended for fire fighting are self-contained breathing apparatuses that have full facepieces and are operated in a pressure-demand or other positive-pressure mode. /Aminophenols/

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available. It is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Spill handling: keep dust under control. Use a vacuum or wet method to reduce dust during clean-up. Do not sweep. Evacuate persons not wearing protective equipment from area of spill or leak until clean-up is complete. Remove all ignition sources. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area after clean-up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection of your regional office of the federal EPA for specific recommendations. /Aminophenols/

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in tightly closed containers in a cool, well-ventilated area. Aminophenols must be stored to avoid contact with strong oxidizers (such as chlorine, bromine, and fluorine), since violent reactions occur. /Aminophenols/

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state white crystals
Colour White prisms from toluene or water
Odour no data available
Melting point/ freezing point 480°C(lit.)
Boiling point or initial boiling point and boiling range 164°C/11mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 52°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:35 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 0.21 at pH 5.6
Vapour pressure 1.86X10-3 mm Hg at 25°C (est)
Density and/or relative density 1.21g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

M-AMINOPHENOL may react with strong oxidizers and mineral acids or bases.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidants. /Aminophenols/

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 1000 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 3-Aminophenol, present at 100 mg/L, reached 0% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(1). 3-Aminophenol is generally resistant to biodegradation in a series of screening tests; 0% theoretical BOD was reached in a 14-day MITI test, 0% CO2 was reported over 28 days in the Sturm test, 7% dissolved organic carbon removal over 19 days was reported in a conventional OECD screening test and 0% theoretical BOD was reached in 30 days in a conventional closed bottle test(2). In the Zahn-Wellens test, 93% dissolved organic carbon removal was reported after 10 days while in a coupled units test, 94% dissolved organic carbon was removed after 14 days(2). When the inoculum was preacclimated, 97% dissolved organic carbon removal in 19 days was reported in the modified OECD screening test but only 1% theoretical BOD was reached in 30 days in the closed bottle test(3). A ring test using a respirometric method similar to the Modified MITI I method (OECD Method 310C) was conducted on 3-aminophenol; after 28 days, 6 of 12 laboratories reported 0% theoretical oxygen demand, with the remaining laboratories reporting mean and median of 5 and 27% theoretical oxygen demand, respectively(4). In a wastewater treatment simulation test with a 13-hour sewage retention time, 99% dissolved organic carbon removal was reported following a lag phase of 29 days(5).

12.3 Bioaccumulative potential

BCFs of <4 and <40 in carp (Cyprinus carpio) were reported for a 6 week study using 1 and 0.1 mg/L 3-aminophenol, respectively(1). According to a classification scheme(2), these BCFs suggest the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 3-aminophenol can be estimated to be 90(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-aminophenol is expected to have high mobility in soil. However, anilines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(3,4), suggesting that mobility may be much lower in some soils(SRC). Measured pKa values are 4.37 and 9.815(5) for the amine and hydroxy functional groups, respectively(6). 3-Aminophenol is amphoteric and behaves either as a weak acid or weak base; the basic character usually predominates(7). At pH 7.7, 12% of added 3-aminophenol was sorbed by an organoclay(8).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2512 IMDG: UN2512 IATA: UN2512

14.2 UN Proper Shipping Name

ADR/RID: AMINOPHENOLS (o-, m-, p-)
IMDG: AMINOPHENOLS (o-, m-, p-)
IATA: AMINOPHENOLS (o-, m-, p-)

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
3-aminophenol 3-aminophenol 591-27-5 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Name: 3-Aminophenol 99% Material Safety Data Sheet
Synonym: m-Hydroxyaniline; 3-Amino-1-hydroxybenzen
CAS: 591-27-5
Section 1 - Chemical Product   MSDS Name:3-Aminophenol 99% Material Safety Data Sheet
Synonym:m-Hydroxyaniline; 3-Amino-1-hydroxybenzen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
591-27-5 3-Aminophenol 99.0 209-711-2
Hazard Symbols: XN N
Risk Phrases: 20/22 51/53

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed. Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
May cause reproductive and fetal effects.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 591-27-5: Russia: 1 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: green
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 164 deg C @ 11.00mm Hg
Freezing/Melting Point: 121 - 124 deg C
Autoignition Temperature: Not available.
Flash Point: 155 deg C ( 311.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 3.5 g/100g (20 c)
Specific Gravity/Density:
Molecular Formula: C6H7NO
Molecular Weight: 109.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Acids, acid chlorides, acid anhydrides, chloroformates, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 591-27-5: SJ4900000 LD50/LC50:
CAS# 591-27-5: Draize test, rabbit, eye: 100 mg/24H Moderate; Draize test, rabbit, skin: 12500 ug/24H Mild; Inhalation, rat: LC50 = 1162 mg/m3; Oral, mouse: LD50 = 401 mg/kg; Oral, rat: LD50 = 924 mg/kg.
Carcinogenicity:
3-Aminophenol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: AMINOPHENOLS
Hazard Class: 6.1
UN Number: 2512
Packing Group: III
IMO
Shipping Name: AMINOPHENOLS
Hazard Class: 6.1
UN Number: 2512
Packing Group: III
RID/ADR
Shipping Name: AMINOPHENOLS
Hazard Class: 6.1
UN Number: 2512
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN N
Risk Phrases:
R 20/22 Harmful by inhalation and if swallowed.
R 51/53 Toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic environment.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 591-27-5: 1
Canada
CAS# 591-27-5 is listed on Canada's DSL List.
CAS# 591-27-5 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 591-27-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Analysis Methods

Kovats' RI, non-polar column, custom temperature program
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1335.
Temperature Control
Method
custom temperature program
Comments
Chromosorb W HMDS (80-100 mesh); Column length: 2.9 m; Program: not specified
Reference
Grzybowski, J.Lamparczyk, H.Nasal, A.Radecki, A.Relationship between the retention indices of phenols on polar and non-polar stationary phasesJ. Chromatogr.1980, 196, 2, 217-223.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1335.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Peterson, K.L.Counter-Propagation Neural Networks in the Modeling and Prediction of Kovats Indices for Substituted PhenolsAnal. Chem.1992, 64, 4, 379-386.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Retention index
1335.
Temperature Control
Method
custom temperature program
Comments
Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Reference
Waggott, A.Davies, I.W.Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf.

Toxicity

SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
12500 ug/24H
Toxic Effects
--
Reference
Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,607,1977
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration into the eye
Species Observed
Rodent - rabbit
Dose/Duration
100 mg/24H
Toxic Effects
--
Reference
Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,688,1986
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
924 mg/kg
Toxic Effects
Peripheral Nerve and Sensation--spastic paralysis with or without sensory change<br>Behavioral--excitement<br>Lungs, Thorax, or Respiration--other changes
Reference
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(1),49,1988

Related Compound Information