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(Z)-4-methyl-2-pentene

flavoring agents
2D:
3D:
CAS Number: 691-38-3
ECHA EC Number: 211-721-7
FDA UNII: 64K11W5U2T
Category: flavoring agents
IUPAC Name: (Z)-4-methyl-2-pentene
InChI : InChI=1/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4-
Std.InChI: InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4-
InChIKey : LGAQJENWWYGFSN-PLNGDYQABH
Std.InChIKey: LGAQJENWWYGFSN-PLNGDYQASA-N
SMILES : C\C=C/C(C)C
MDL: MFCD00009293
Molar Refractivity : 29.86 ± 0.3 cm3 (est)
Parachor : 255.4 ± 4.0 cm3 (est)
Index of Refraction : 1.406 ± 0.02 (est)
Surface Tension : 19.4 ± 3.0 dyne/cm (est)
Density : 0.692 ± 0.06 g/cm3 (est)
Polarizability : 11.83 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:Search
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Perfumer and Flavorist:Search
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PubMed:Search
NCBI:Search
JECFA Food Flavoring:2194 4-methyl-cis-2-pentene
FEMA Number:4650 4-methyl-cis-2-pentene
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):691-38-3 ; 4-METHYL-CIS-2-PENTENE

Physical Properties:

Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.66900 to 0.97300 @ 25.00 °C.
Pounds per Gallon - (est).: 5.567 to 8.096
Refractive Index:1.38600 to 1.39000 @ 20.00 °C.
Melting Point: -13.50 °C. @ 760.00 mm Hg
Boiling Point: 57.00 to 58.00 °C. @ 760.00 mm Hg
Vapor Pressure:214.873993 mmHg @ 25.00 °C. (est)
Flash Point: -28.00 °F. TCC ( -33.33 °C. )
logP (o/w): 3.241 (est)
Soluble in:
alcohol
water, 102.3 mg/L @ 25 °C (est)
Insoluble in:
water

Organoleptic Properties:

Cosmetic Information:

None found

Suppliers:

Axsyn
For experimental / research use only.
2-Pentene, 4-methyl-,(2Z)-
BOC Sciences
For experimental / research use only.
cis-4-Methyl-2-pentene
Parchem
(Z)-4-methyl-2-pentene
Santa Cruz Biotechnology
For experimental / research use only.
cis-4-Methyl-2-pentene
Sigma-Aldrich: Aldrich
For experimental / research use only.
cis-4-Methyl-2-pentene 95%
TCI AMERICA
For experimental / research use only.
cis-4-Methyl-2-pentene >94.0%(GC)
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 12 - Extremely flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 65 - Harmful: may cause lung damage if swallowed.
S 02 - Keep out of the reach of children.
S 07/09 - Keep container tightly closed and in well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavoring agents
Recommendation for (Z)-4-methyl-2-pentene usage levels up to:
not for fragrance use.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.020000.10000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.020000.10000
snack foods: 0.020000.10000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5326159
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3295
WGK Germany:3
(Z)-4-methylpent-2-ene
Chemidplus:0000691383

References:

(Z)-4-methylpent-2-ene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5326159
Pubchem (sid):134976053

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2901.29.5000
ChemSpider:View

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

not found in nature

Synonyms:

4-methyl-(2Z)-pentene
cis-4-methyl-2-pentene
cis-2-methyl-3-pentene
4-methyl-cis-2-pentene
(2Z)-4-methylpent-2-ene
(Z)-4-methylpent-2-ene
cis-4-methylpent-2-ene
cis-pent-2-ene, 4-methyl-
2-pentene, 4-methyl-, (2Z)-
2-pentene, 4-methyl-, (Z)-
2-pentene, 4-methyl-,(2Z)-
cis-1-isopropyl propene
cis-1-isopropylpropene

Articles:

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