butane-1,4-diol

CAS No. 110-63-4

Formula: C4H10O2
Basic Info

1,4-Butanediol, colloquially known as BD, is the organic compound with the formula HOCH2CH2CH2CH2OH. This colorless viscous liquid is derived from butane by placement of alcohol groups at each end of the chain. It is one of four stable isomers of butanediol.

Formula
C4H10O2
Molecular Weight
90.121
Exact Mass
90.0681
LogP
-0.2488
PSA
40.46
Synonyms

agrisynthb1d

1,4-BD

Butanediol

1,4-Butylene glycol,Tetramethylene glycol

Diol 14B

Tetramethylene Glycol

Dabco BDO

4-hydroxybutanol

1,4-Butylene Glycol

1,4-Butandiol

1,4-dihydroxybutane

Butane-1,4-diol

BDO

1,4-Butanediol

sucolb

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Properties
Appearance & Physical State
viscous colourless liquid
Density
1.017
Boiling Point
229.2ºC (759.8513 mmHg)
Melting Point
20ºC
Flash Point
135ºC
Refractive Index
1.4442-1.4462
Water Solubility
Miscible
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.
Storage Condition
2-8ºC
Vapor Density
3.1 (vs air)
Vapor Pressure
0.015mmHg at 25°C
Safety Info
RTECS
EK0525000
Safety Statements
S36
WGK Germany
1
Risk Statements
R22
HS Code
2905399090
Hazard Class
6.1
Packing Group
I; II; 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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name butane-1,4-diol

1.2 Other means of identification

Product number -
Other names 1,4-Butanediol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Adhesives and sealant chemicals,CBI,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

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H336 May cause drowsiness or dizziness

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.

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.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

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
butane-1,4-diol butane-1,4-diol 110-63-4 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

Fresh air, rest.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Ingestion of large amounts needed to produce any symptoms. (USCG, 1999)

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

/SRP:/ 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. /Lower alcohols (1-3 Carbons) and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

To fight fire use alcohol foam, mist, foam, carbon dioxide, dry chemical.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Carbon dioxide and carbon monoxide may be produced in fire. Behavior in Fire: Unstable with heat; may form flammable tetrahydrofuran at 148.89°C. (USCG, 1999)

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

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Wash away remainder with plenty of water.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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

Separated from strong oxidants.1,4-Butanediol can be stored indefinitely. The product is noncorrosive and therefore can be transported in cast iron containers. When it is stored for longer periods, storage tanks of steel or aluminum are necessary in order to avoid traces of iron in the product. In this case, a cover of dry nitrogen also is recommended.

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 viscous colourless liquid
Colour Colorless, oily liquid
Odour Almost odorless
Melting point/ freezing point 455°C(lit.)
Boiling point or initial boiling point and boiling range 104°C
Flammability Combustible.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.95% by volume; Upper flammable limit: 18.3% by volume
Flash point 138°C(lit.)
Auto-ignition temperature 355°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 84.9 milliPascal-sec at 20°C
Solubility In water:Miscible
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0.015mmHg at 25°C
Density and/or relative density 1.017
Relative vapour density 3.1 (vs air)
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

Combustible when exposed to heat or flame.1,4-BUTANEDIOL is heat and light sensitive. This compound reacts with acid chlorides, acid anhydrides and chloroformates. It also reacts with oxidizing agents and reducing agents. It is incompatible with isocyanates and acids. It is also incompatible with peroxides, perchloric acid, sulfuric acid, hypochlorous acid, nitric acid, caustics, acetaldehyde, nitrogen peroxide and chlorine.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible with oxidizing materials.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 1780 mg/kg
  • Inhalation: LC50 Rat (Wistar) inhalation >5.1 mg/L/4 hr /from table/
  • 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: EC50 Daphnia magna (Water flea) >1000 mg/L for 48 hr; semi-static; Effect: immobilization /from table
  • Toxicity to algae: EC50 Selenastrum capricornutum (Algae) >1000 mg/L for 72 hr, static; Effect: growth measured by biomass change /from table
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: 1,4-Butanediol, present at 100 mg/L, reached between 74 and 96 percent of its theoretical biological oxygen demand in 2 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1). Under aerobic conditions, the acetic acid bacteria Acetobacter aceti and Gluconobacter oxidans oxidized 1,4-butanediol to succinic acid(2).

12.3 Bioaccumulative potential

An estimated BCF of 3.2 was calculated for 1,4-butanediol(SRC), using a log Kow of -0.86(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The Koc of 1,4-butanediol is estimated as 8.4(SRC), using a log Kow of -0.84(1)and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,4-butanediol is expected to have very high mobility in soil.

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: UN1479 IMDG: UN1479 IATA: UN1479

14.2 UN Proper Shipping Name

ADR/RID: OXIDIZING SOLID, N.O.S.
IMDG: OXIDIZING SOLID, N.O.S.
IATA: OXIDIZING SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 5.1 IMDG: 5.1 IATA: 5.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

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
butane-1,4-diol butane-1,4-diol 110-63-4 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 Not 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 10, 2017
Revision Date Aug 10, 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: 1 4-Butanediol 99+% Material Safety Data Sheet
Synonym: 1,4-Butylene Glycol
CAS: 110-63-4
Section 1 - Chemical Product   MSDS Name:1 4-Butanediol 99+% Material Safety Data Sheet
Synonym:1,4-Butylene Glycol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
110-63-4 1,4-BUTANEDIOL 99+ 203-786-5
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause kidney damage. May cause cardiac disturbances.
May cause kidney failure. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May cause effects similar to those described for ingestion. Inhalation of high concentrations may cause narcotic effects.
Chronic:
Chronic exposure may cause kidney damage.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid if irritation develops or persists. Wash clothing before reuse. Flush skin with plenty of soap and water.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
Water spray may cause frothing. Cool containers with flooding quantities of water until well after fire is out.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 110-63-4: Germany: 50 ppm TWA; 200 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 to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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: Liquid
Color: colorless
Odor: Nearly odorless
pH: Not available.
Vapor Pressure: 0.0105 mm Hg @25C
Viscosity: 8.924@20C
Boiling Point: 230 deg C @ 760.00mm Hg
Freezing/Melting Point: 20.1 deg C
Autoignition Temperature: 420 deg C ( 788.00 deg F)
Flash Point: 121 deg C ( 249.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: >150 deg C
Solubility in water: Soluble.
Specific Gravity/Density: 1.0170g/cm3
Molecular Formula: C4H10O2
Molecular Weight: 90.12

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 110-63-4: EK0525000 LD50/LC50:
CAS# 110-63-4: Oral, mouse: LD50 = 2062 mg/kg; Oral, mouse: LD50 = 2062 mg/kg; Oral, rabbit: LD50 = 2531 mg/kg; Oral, rabbit: LD50 = 2531 mg/kg; Oral, rat: LD50 = 1525 mg/kg; Oral, rat: LD50 = 1525 mg/kg.
Carcinogenicity:
1,4-BUTANEDIOL - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Effects to non-target species: LC50 (duration unspecified) Salientia sp. tadpole <10,000 mg/l

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 110-63-4: 0
Canada
CAS# 110-63-4 is listed on Canada's DSL List.
CAS# 110-63-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 110-63-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : 400 MHz in DMSO-d6
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Toxicity
ACUTE TOXICITY DATA
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Type of Test
LDLo - Lowest published lethal dose
Exposure Route
Unreported
Species Observed
Human - woman
Dose/Duration
300 mg/kg
Toxic Effects
Behavioral--altered sleep time (including change in righting reflex)
Reference
Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 3,110,1948
ACUTE TOXICITY DATA
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Type of Test
LDLo - Lowest published lethal dose
Exposure Route
Rectal
Species Observed
Human - man
Dose/Duration
429 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 3,110,1948
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
1525 mg/kg
Toxic Effects
Behavioral--altered sleep time (including change in righting reflex)<br>Behavioral--somnolence (general depressed activity)<br>Blood--other changes
Reference
Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968

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