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:
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
 
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
aldehydic
lily pentanal
FR
2-
methyl undecanal dimethyl acetal
FR
fatty
hexyl pivalate
FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
jasmin cyclopentanol
FR
lily propanol
FR
fruity
allyl amyl glycolate
FR
ethyl 2-cyclohexyl propionate
FR
ethyl 3,5,5-trimethyl hexanoate
FR
heptanal cyclic ethylene acetal
FR
nerolidyl isobutyrate
FR
rhubarb undecane
FR
tropical indene
FR
tropical indene
FR
green
acetaldehyde methyl hexyl acetal
FR
2-
cyclohexyl propionaldehyde
FR
green dioxolane
FR
phenyl acetaldehyde ethylene glycol acetal
FR
violet dienyne
FR
violet dienyne
FR
herbal
clary sage resin america
FR
woody
verdoxan
FR
verdoxan
FR
woody acetate
FR
woody acetate
FR
For Flavor
No flavor group found for these
allyl tiglate
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 4-pentenoate
FL
2-
methyl-2-octenal
FL
(E)-2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
earthy
earthy
1-
hexen-3-yl acetate
FL
fruity
ethyl (E)-2-octenoate
FL
furfuryl propionate
FL
methyl (E)-3-nonenoate
FL
green
(E)-2-
hexenal diethyl acetal
FL
methyl 2-undecynoate
FL
sour
3-
methyl valeric acid
FL
 
Potential Uses:
FRapple
FRfruit
FRgreen
FRhyacinth jacinthe
FRjasmin
FRreseda mignonette
 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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