(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
cis-3-hexenyl 2-methyl-2-pentenoate
 
Notes:
None found
  • Bedoukian Research
    • Bedoukian Research, Inc.
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      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.
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      Product(s):
      120 cis-3-HEXENYL 2-METHYL-2-PENTENOATE 96.0% - 99.9% (cis), Kosher
      SDS
      Used in specialty fragrances.
       
       
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[(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate (Click)
CAS Number: 76649-17-7Picture of molecule
% 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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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
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 
Substantivity: 12 Hour(s)
 
 fresh  green  natural  metallic  tropical  waxy  
Odor Description:
at 10.00 % in dipropylene glycol. 
fresh green natural metallic tropical waxy
Luebke, William tgsc, (1989)
 
 
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.
 
 
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Cosmetic Information:
None found
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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
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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
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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.
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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
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References:
 [(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6441873
Pubchem (sid): 135192665
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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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
(E)-tiglaldehydeFL/FR
aldehydic
 lily pentanalFR
2-methyl undecanal dimethyl acetalFR
balsamic
isoamyl benzoateFL/FR
cheesy
S-(methyl thio) butyrateFL/FR
citrus
2-heptanolFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
ethereal
2-methyl valeraldehydeFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 citronellyl propionateFL/FR
gamma-damasconeFR
6,8-dimethyl-2-nonanolFR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 jasmin cyclopentanolFR
 lily propanolFR
 papaya isobutyrateFL/FR
 rose butanoateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl heptanoateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl propionateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 decyl butyrateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
 heptanal cyclic ethylene acetalFR
(E)-2-hepten-1-yl acetateFL/FR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
3-hexanoneFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl nonanoateFL/FR
 methyl valerateFL/FR
 nerolidyl isobutyrateFR
(E)-2-nonen-1-yl acetateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical indeneFR
 tropical thiazoleFL/FR
 tropical thiazoleFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
isoamyl formateFL/FR
 butyl 2-methyl butyrateFL/FR
 cognac heptanoneFL/FR
2-cyclohexyl propionaldehydeFR
alpha-decalactoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green dioxolaneFR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
2-hexenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 hexyl tiglateFL/FR
 manzanate (Givaudan)FL/FR
 melon nonenoateFL/FR
 neryl butyrateFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
 thiogeraniolFL/FR
 violet dienyneFR
 violet dienyneFR
herbal
 clary sage resin americaFR
sulfurous
 buchu mercaptanFL/FR
tropical
beta-cyclocitralFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
9-decenoic acidFL/FR
(E,E)-2,4-dodecadien-1-ol 
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
woody
 verdoxanFR
 verdoxanFR
 woody acetateFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 allyl tiglateFL
 butyl 2-methyl butyrateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 3-acetoxyhexanoateFL/FR
(E,E)-2,4-heptadien-1-olFL
(E)-2-hepten-1-yl acetateFL/FR
2-hexenalFL
2-hexenal diethyl acetalFL
2-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
2-methyl-2-octenalFL
(E)-2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
4-phenyl-2-butyl acetateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
(E)-tiglaldehydeFL/FR
(E)-tiglaldehydeFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
 tropical thiazoleFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
 heptyl formateFL/FR
floral
 citronellyl propionateFL/FR
(E)-geranyl acetoneFL/FR
 jasmin absolute egypt (from concrete)FL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl heptanoateFL/FR
isoamyl benzoateFL/FR
 amyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl propionateFL/FR
 decyl butyrateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl propionateFL
 geranyl hexanoateFL/FR
2-heptanolFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 hexanal propylene glycol acetalFL/FR
3-hexanoneFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hexyl acetateFL/FR
 hexyl phenyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 acetaldehyde dihexyl acetalFL/FR
 allyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
3-decen-2-oneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 geranyl acetateFL/FR
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl tiglateFL/FR
 melon nonenoateFL/FR
 methyl 2-undecynoateFL
 neryl butyrateFL/FR
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
minty
 thiogeraniolFL/FR
 thiogeraniolFL/FR
musty
S-(methyl thio) butyrateFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
tropical
beta-cyclocitralFL/FR
vegetable
1-furfuryl pyrroleFL/FR
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
9-decenoic acidFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 appleFR
 fruitFR
 greenFR
 hyacinth jacintheFR
 jasminFR
 reseda mignonetteFR
 waxy 
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Occurrence (nature, food, other): note
 not found in nature
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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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Articles:
 None found yet.
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