484-20-8 structure, C12H8O4

5-methoxypsoralen

CAS No.

484-20-8

Formula:

C12H8O4

Basic Info

Naturally occurring analog of Psoralen ( P839800) and metabolite of 8-Methoxy Psoralen. Antipsoriatic.

Formula
C12H8O4
Molecular Weight
216.19
Exact Mass
216.042
LogP
2.5478
PSA
52.58
Synonyms

Geralen

MAJUDIN

4-Methoxy-7H-furo[3,2-g]chromen-7-one

Bergaptan

Bergapten

4-Methoxyfuro[3,2-g]Benzopyran-7-One

HERACLIN

5-MOP

Psoraderm

5-Methoxypsoralen

4-MOP

4-Methoxyfuro[3,2-g]benzopyrane-7-one,5-Methoxypsoralen,Bergapten

expand collapse

Properties

Appearance & Physical State
white to off-white crystalline solid
Density
1.368 g/cm3
Boiling Point
412.4ºC at 760 mmHg
Melting Point
190-193ºC
Flash Point
203.2ºC
Refractive Index
1.635
Stability
Stable. Combustible. Incompatible with strong oxidizing agents. May be light sensitive.
Storage Condition
2-8ºC
Vapor Pressure
5.2E-07mmHg at 25°C

Safety Info

RTECS
LV1300000
Safety Statements
36/37
WGK Germany
2
Risk Statements
R43
HS Code
2932999099
RIDADR
UN 1759
Caution Statement
P201; P261; P308 + P313
Hazard Codes
Hazard Declaration
Caution Statement

MSDS

SDS 1.0
expand collapse
Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-methoxypsoralen

1.2 Other means of identification

Product number -
Other names Geralen

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

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

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

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
5-methoxypsoralen 5-methoxypsoralen 484-20-8 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 include erythema, marked pigmentation, dermatitis, patchy hyperpigmentation of the face and neck, and keratomas or epitheliomas of the skin. Corrosion may occur. It may also cause phototoxic reactions of the skin. Symptoms of exposure to a related compound include extreme destruction of tissue of the mucous membranes and upper respiratory tract, eyes and skin, photosensitization, burning sensation, coughing, wheezing, laryngitis and shortness of breath. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Other symptoms include headache, nausea, vomiting and allergic skin reactions. It has also caused dizziness, nervousness, insomnia, pruritus, mental excitation, mental depression, acute vesicular cutaneous photosensitization, blistering and, rarely, hypertrichosis, hyperpigmentation, cataracts, liver injury, onycholysis, nail pigmentation, bullous pemphigoid and acneform eruptions. Chronic exposure may cause alteration of genetic material. ACUTE/CHRONIC HAZARDS: This compound is corrosive. A related compound is harmful if swallowed, inhaled or absorbed through the skin. This related compound is also extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes and skin. When heated to decomposition it emits acrid smoke and irritating fumes.

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

Absorption, Distribution and Excretion

MICRONIZED BERGAPTEN IN CAPSULES WAS ABSORBED SLOWLY BY VOLUNTEERS (TIME TO MAX SERUM CONCN 3.2 HR; ELIM HALF-TIME ABOUT 1 HR). WHEN INJECTED IV INTO RABBITS, ELIM HALF-TIME 1-2 MIN (ALPHA-PHASE) & 15 MIN (BETA-PHASE).

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available; however, 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

PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/

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

PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

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 to off-white crystalline solid
Colour NEEDLES FROM ALCOHOL; SOLN IN SULFURIC ACID IS YELLOW-GOLD
Odour no data available
Melting point/ freezing point 188°C(lit.)
Boiling point or initial boiling point and boiling range 38°C
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point -23°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 18.89°C
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 5.2E-07mmHg at 25°C
Density and/or relative density 1.368 g/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

5-METHOXYPSORALEN may be sensitive to exposure to light. A related chemical is incompatible with strong oxidizers.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: The oral LD50 for 5-methoxypsoralen has been reported to be 8100 mg/kg bw in NMRI Hanover mice, >30,000 mg/kg bw in Wistar AF rats and 9000 mg/kg bw in Hartley guinea-pigs ... .
  • 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

Inadequate evidence of carcinogenicity in humans. Sufficient evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 2A: The agent is probably carcinogenic to humans.

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

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

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: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

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
5-methoxypsoralen 5-methoxypsoralen 484-20-8 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 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
expand collapse
  Bergapten      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        Bergapten    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
    Category 1
  Skin sensitization
  Carcinogenicity        Category 1B    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statement        May cause an allergic skin reaction    
    May cause cancer
  Precautionary statements
  [Prevention]        Obtain special instructions before use.    
    Do not handle until all safety precautions have been read and understood.
    Avoid breathing.
    Contaminated work clothing should not be allowed out of the workplace.
    Wear protective gloves/eye protection/face protection.
    IF ON SKIN: Gently wash with plenty of soap and water.
  [Response]
    If skin irritation or rash occurs: Get medical advice/attention.
    Wash contaminated clothing before reuse.
    IF exposed or concerned: Get medical advice/attention.
    Store locked up.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        Bergapten    
  Percent:        >98.0%(GC)    
  CAS Number:        484-20-8    
    4-Methoxyfuro[3,2-g]benzopyran-7-one , 5-Methoxypsoralen
  Synonyms:
  Chemical Formula:        C12H8O4    
  Bergapten

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Get medical advice/attention.
  Ingestion:        Get medical advice/attention.Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing    
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a local exhaust if dust or aerosol will be
    generated.
  Advice on safe handling:        Avoid all contact!    
  Storage
    Keep container tightly closed. Store in a cool and dark place.
  Storage conditions:
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
  Hand protection:        Impervious gloves.    
  Eye protection:        Safety goggles. A face-shield, if the situation requires.    
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        crystal - powder    
  Color:        White - Slightly pale yellow    
  Bergapten

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:191 °C
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
    No data available
  Upper:
  Density:        No data available    
    Soluble in : Ether
  Solubility:
    Slightly soluble in: Alcohol Benzene Chloroform Glacial acetic acid
    Very slightly soluble in: Water
  log Pow =        2.3    

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
    No special reactivity has been reported.
  Reactivity:
  Conditions to avoid:        Light-sensitive    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide
  Products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        orl-mus LD50:8100 mg/kg    
    orl-rat LD50:>30 g/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: cyt-mus-ipr 900 mg/kg
  Carcinogenicity:
  IARC =        Group 2A (Probably carcinogenic to humans).    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
  RTECS Number:        LV1300000    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
  log Pow:        2.3    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  Bergapten

Section 14. TRANSPORT INFORMATION
  UN-No:        Not Listed    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
expand collapse

Analysis Methods

Kovats' RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-5MS
Retention index
2061.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min
Reference
Asuming, W.A.Beauchamp, P.S.Descalzo, J.T.Dev, B.C.Dev, V.Frost, S.Ma, C.W.Essential oil composition of four Lomatium Raf. species and their chemotaxonomyBiochem. Syst. Ecol.2005, 33, 1, 17-26.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
RTX-5
Retention index
2080.
Temperature Control
Method
temperature ramp
Comments
10. m/0.1 mm/0.1 μm, He, 12.3 K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 350. C
Reference
Mondello, L.Zappia, G.Dugo, P.Dugo, G.Bonaccorsi, I.Dugo, G.Identification of complex samples by Fast-GC/MS using linear retention indices in conjunction with the MS-libraryProceedings, 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF.
Van Den Dool and Kratz RI, non-polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
2048.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Rouseff, R.Smoot, J.Valim, F.Dreher, G.Mahattanatawee, k.Bell, W.Blaze, M.Flavor Database2002, retrieved from http://www.lal.ufl.edu/rouseff.
Van Den Dool and Kratz RI, non-polar column, custom temperature program
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-52
Retention index
2075.
Temperature Control
Method
custom temperature program
Comments
60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) <sup> </sup>3 C/min -&gt; 111 0C <sup> </sup>2 C/min -&gt; 160 C <sup> </sup>3 C/min -&gt; 300 C (15 min)
Reference
Mondello, L.Dugo, P.Basile, A.Dugo, G.Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixturesJ. Microcolumn Sep.1995, 7, 6, 581-591.
Normal alkane RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
2062.
Temperature Control
Method
temperature ramp
Comments
15. m/0.25 mm/0.5 μm, He, 50. C @ 1. min, 10. K/min, 320. C @ 5. min
Reference
Feger, W.Brandauer, H.Gabris, P.Ziegler, H.Nonvolatiles of Commercial Lime and Grapefruit Oils Separated by High-Speed Countercurrent ChromatographyJ. Agric. Food Chem.2006, 54, 6, 2242-2252.

Synthesis Route

1.Synthesis Route
2.Synthesis Route
3.Synthesis Route

Related Compound Information