(E)-2-hexen-1-yl isovalerate
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
      US Email: Customer Service
      US Voice: 1-203-830-4000
      US Fax: 1-203-830-4010
      Products List: View
      145 trans-2-HEXEN-1-YL ISOVALERATE
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      08-33850 trans-2-HEXENYL ISOVALERATE, Kosher
Synonyms   Articles   Notes   Search
[(E)-hex-2-enyl] 3-methylbutanoate (Click)
CAS Number: 68698-59-9
ECHA EC Number: 272-088-0
MDL: MFCD00036544
FEMA Number: 3930
XlogP3-AA: 3.20 (est)
Molecular Weight: 184.27880000
Formula: C11 H20 O2
NMR Predictor: Predict
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
JECFA Food Flavoring: 1377  trans-2-hexenyl isovalerate
Flavis Number: 09.399 (Old)
FEMA Number: 3930  trans-2-hexenyl isovalerate
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.87500 to 0.88500 @  25.00 °C.
Pounds per Gallon - (est).: 7.281 to  7.364
Refractive Index: 1.42500 to 1.43500 @  20.00 °C.
Boiling Point: 105.00 °C. @ 20.00 mm Hg
Vapor Pressure: 0.062000 mm/Hg @ 25.00 °C. (est)
Flash Point: 180.00 °F. TCC ( 82.22 °C. )
logP (o/w): 3.990 (est)
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: green
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
green waxy apple pear banana grape
Odor Description:
at 1.00 %.  
Green, fresh waxy apple, pear and banana-like with nuances of viney fusel grape and vegetables
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
Taste Description:
at 1.00 - 5.00 ppm. 
Green apple, fruity with an oily waxy nuance and a lingering fruity aftertaste
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Bedoukian Research
(E)-2-hexen-1-yl isovalerate
Penta International
Synonyms   Articles   Notes   Search   Top
Safety Information:
European information :
Most important hazard(s):
None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
  oral-rat LD50  > 5000 mg/kg
Mosciano, Gerard P&F 25, No. 5, 72, (2000)

Dermal Toxicity:
  skin-rabbit LD50 > 5000 mg/kg
Mosciano, Gerard P&F 25, No. 5, 72, (2000)

Inhalation Toxicity:
  Not determined
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day)
Structure Class: I
Recommendation for (E)-2-hexen-1-yl isovalerate usage levels up to:
  5.0000 % in the fragrance concentrate.
Recommendation for (E)-2-hexen-1-yl isovalerate flavor usage levels up to:
  5.0000 ppm in the finished product.
Synonyms   Articles   Notes   Search   Top
Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
page or pdf
EPI System: View
Chemicalize.org: Calculate predicted properties
EPA Substance Registry Services (TSCA): 68698-59-9
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 [(E)-hex-2-enyl] 3-methylbutanoate
Chemidplus: 0068698599
Synonyms   Articles   Notes   Search   Top
 [(E)-hex-2-enyl] 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68698-59-9
Pubchem (cid): 5352460
Pubchem (sid): 135067449
Synonyms   Articles   Notes   Search   Top
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
Export Tariff Code: 2915.60.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 allyl cyclohexyl acetateFL/FR
 allyl octanoateFL/FR
isoamyl benzoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 apple ketalFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
 decanal diethyl acetalFL/FR
9-decenoic acidFL/FR
 diethyl malonateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl hexanoateFL/FR
 furfuryl propionateFL
1-furfuryl pyrroleFL/FR
 geranyl acetateFL/FR
 grape butyrateFL/FR
 green acetateFR
(Z)-3-hepten-1-yl acetateFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 heptyl formateFL/FR
(E)-2-hexenal diethyl acetalFL
2-hexenal diethyl acetalFL
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 jasmin cyclopentanolFR
 lily pentanalFR
 marigold pot absoluteFL/FR
 melon nonenoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
2-methyl heptanoic acidFL/FR
 methyl octanoateFL/FR
2-methyl undecanal dimethyl acetalFR
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl octanoateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
 propyl 2,4-decadienoateFL/FR
 propyl hexanoateFL/FR
 tagete oil indiaFL/FR
Synonyms   Articles   Notes   Search   Top
Potential Uses:
Synonyms   Articles   Notes   Search   Top
Natural Occurrence in: note
 lettuce lamb's
 mint oils
 pepper tabasco pepper
Synonyms   Articles   Notes   Search   Top
 butanoic acid, 3-methyl-, (2E)-2-hexen-1-yl ester
 butanoic acid, 3-methyl-, (2E)-2-hexenyl ester
 butanoic acid, 3-methyl-, 2-hexenyl ester, (E)-
 butyric acid, 3-methyl-, trans-hex-2-en-1-yl ester
(2E)-hex-2-en-1-yl 3-methylbutanoate
(E)-hex-2-enyl 3-methyl butanoate
(E)-hex-2-enyl isovalerate
[(E)-hex-2-enyl] 3-methylbutanoate
(E)-2-hexen-1-yl 3-methyl butanoate
(E)-2-hexen-1-yl isopentanoate
(E)-2-hexen-1-yl isovalerate
trans-2-hexen-1-yl isovalerate
(E)-2-hexen-1-yl-3-methyl butanoate
(2E)-2-hexenyl 3-methylbutanoate
(2E)-hexenyl isovalerate
(E)-2-hexenyl isovalerate
trans-2-hexenyl isovalerate
trans-2-hexenyl isovalerate (natural)
3-methyl butanoic acid (2E)-2-hexen-1-yl ester
(E)-3-methyl butanoic acid 2-hexen-1-yl ester
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
click on the picture(s) below to
interact with the 3D model
Picture of molecule
Similar Items: note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
Soluble in:
 water, 19.61 mg/L @ 25 °C (est)
Insoluble in:
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2015 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy