EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
cis-3-hexenyl 2-methyl-2-pentenoate

Sponsors

Name:[(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate
CAS Number: 76649-17-7Picture of molecule3D/inchi
% from:96.00% to 99.90%
ECHA EINECS - REACH Pre-Reg:278-511-5
XlogP3-AA:3.50 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.90100 to 0.91200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.497 to 7.589
Refractive Index:1.45500 to 1.46500 @ 20.00 °C.
Boiling Point: 125.00 °C. @ 25.00 mm Hg
Vapor Pressure:0.010000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 4.222 (est)
Soluble in:
 alcohol
 water, 7.69 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
Substantivity:12 hour(s) at 100.00 %
fresh green natural metallic tropical waxy
Odor Description:at 10.00 % in dipropylene glycol. fresh green natural metallic tropical waxy
Luebke, William tgsc, (1989)
Odor sample from: Bedoukian Research, Inc.
Flavor Type: green
fresh green fruity tropical spicy oily waxy mango mahogany
Taste Description: fresh green fruity tropical spicy oily waxy mango mahogany
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
cis-3-HEXENYL 2-METHYL-2-PENTENOATE 96.0% - 99.9% (cis), Kosher
Odor Description:A powerful fruity-green odor with natural connotations
Used in specialty fragrances.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
cis-3-HEXENYL 2-METHYL-2-PENTENOATE
96.0% - 99.9% (cis), Kosher
Odor: A powerful fruity-green odor with natural connotations
Use: Used in specialty fragrances.
BOC Sciences
For experimental / research use only.
cis-3-HEXENYL 2-METHYL-2-PENTENOATE 98.0% (sum of isomers
 
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
 
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: fragrance agents
Recommendation for (Z)-3-hexen-1-yl 2-methyl-2-pentenoate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for (Z)-3-hexen-1-yl 2-methyl-2-pentenoate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):76649-17-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6441873
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate
Chemidplus:0076649177
 
References:
 [(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6441873
Pubchem (sid):135192665
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.19.6000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
(E)-
tiglaldehyde
FL/FR
aldehydic
aldehydic
lily pentanal
FR
2-
methyl undecanal dimethyl acetal
FR
balsamic
iso
amyl benzoate
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
citrus
2-
heptanol
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fatty
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
citronellyl propionate
FL/FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
geranyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl hexanoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
jasmin cyclopentanol
FR
lily propanol
FR
papaya isobutyrate
FL/FR
rose butanoate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl heptanoate
FL/FR
iso
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl propionate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
decyl butyrate
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
heptanal cyclic ethylene acetal
FR
(E)-2-
hepten-1-yl acetate
FL/FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
3-
hexanone
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl nonanoate
FL/FR
methyl valerate
FL/FR
nerolidyl isobutyrate
FR
(E)-2-
nonen-1-yl acetate
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical indene
FR
tropical thiazole
FL/FR
tropical thiazole
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
iso
amyl formate
FL/FR
butyl 2-methyl butyrate
FL/FR
cognac heptanone
FL/FR
2-
cyclohexyl propionaldehyde
FR
alpha-
decalactone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green dioxolane
FR
heptyl formate
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
2-
hexenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
hexyl phenyl acetate
FL/FR
hexyl tiglate
FL/FR
manzanate (Givaudan)
FL/FR
melon nonenoate
FL/FR
neryl butyrate
FL/FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde ethylene glycol acetal
FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propylene acetal
FL/FR
sorbyl isobutyrate
FL/FR
thiogeraniol
FL/FR
thiogeraniol
FL/FR
violet dienyne
FR
violet dienyne
FR
herbal
clary sage resin america
FR
sulfurous
buchu mercaptan
FL/FR
tropical
beta-
cyclocitral
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
9-
decenoic acid
FL/FR
methyl butyl phenyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
verdoxan
FR
verdoxan
FR
woody acetate
FR
woody acetate
FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
allyl tiglate
FL
butyl 2-methyl butyrate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
(E)-2-
hepten-1-yl acetate
FL/FR
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
2-
hexenyl acetate
FL/FR
hexyl (E)-2-hexenoate
FL
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
(E)-
methyl geranate
FL/FR
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
4-
phenyl-2-butyl acetate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propylene acetal
FL/FR
(E)-
tiglaldehyde
FL/FR
(E)-
tiglaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
tropical thiazole
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
earthy
1-
hexen-3-yl acetate
FL
estery
ethyl acetoacetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
heptyl formate
FL/FR
floral
citronellyl propionate
FL/FR
(E)-
geranyl acetone
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl heptanoate
FL/FR
iso
amyl benzoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl propionate
FL/FR
decyl butyrate
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
furfuryl propionate
FL
geranyl hexanoate
FL/FR
2-
heptanol
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
hexanal propylene glycol acetal
FL/FR
3-
hexanone
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl acetate
FL/FR
hexyl phenyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl acetate
FL/FR
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
hexyl tiglate
FL/FR
melon nonenoate
FL/FR
methyl 2-undecynoate
FL
neryl butyrate
FL/FR
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
minty
thiogeraniol
FL/FR
thiogeraniol
FL/FR
musty
S-(
methyl thio) butyrate
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sour
3-
methyl valeric acid
FL
sulfurous
buchu mercaptan
FL/FR
tropical
beta-
cyclocitral
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
9-
decenoic acid
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FRapple
FRfruit
FRgreen
FRhyacinth
FRjasmin
FRreseda
 waxy
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 green pentenoate
[(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate
cis-3-hexen-1-yl 2-methyl-2-pentenoate
(Z)-3-hexen-1yl 2-methyl pent-2-en-1-oate
cis-3-hexen-1yl 2-methylpent-2-en-1-oate
(Z)-3-hexenyl 2-methyl-2-pentenoate
cis-3-hexenyl 2-methyl-2-pentenoate
2-methyl-2-pentenoic acid (3Z)-3-hexenyl ester
2-pentenoic acid, 2-methyl-, (3Z)-3-hexenyl ester
 

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