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

hexyl (E)-2-methyl-3-pentenoate
hexyl 2-methyl-3&4-pentenoate (mixture)

Supplier Sponsors

Name:hexyl (E)-2-methylpent-3-enoate
CAS Number: 58625-95-9Picture of molecule3D/inchi
FDA UNII: 6ZQ9AGD3IS
Nikkaji Web:J310.588A
XlogP3-AA:4.00 (est)
Molecular Weight:198.30574000
Formula:C12 H22 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
JECFA evaluated hexyl 2-methyl-3&4-pentenoate (mixture) (CASrn as in Register). Register CASrn refers to the (E)-isomer. (R) or (S) enantiomer not specified by Register CASrn.
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:352 hexyl 2-methyl-3&4-pentenoate (mixture)
DG SANTE Food Flavourings:09.546 hexyl-2-methylpent-(3 and 4)-enoate
FEMA Number:3693 hexyl 2-methyl-3&4-pentenoate (mixture)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):977101-05-5 ; HEXYL 2-METHYL-3(OR 4)-PENTENOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.87100 to 0.87600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.248 to 7.289
Refractive Index:1.43100 @ 20.00 °C.
Boiling Point: 57.00 to 61.00 °C. @ 2.00 mm Hg
Boiling Point: 245.00 to 246.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.026000 mmHg @ 25.00 °C. (est)
Flash Point: 176.00 °F. TCC ( 80.00 °C. )
logP (o/w): 4.532 (est)
Soluble in:
 alcohol
 water, 6.351 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:tropical
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) 97.0% min.
Odor Description:A delicately tropical aroma reminiscent of melon or muscat grape with peppery back notes.
Can be used as a fixative for lily of the valley, rose, hyacinth formulations.
Taste Description:tropical
A good base for tropicals and a good modifier for melon, grape, apple and pineapple flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Penta International
HEXYL-2-METHYL-3-PENTENOATE
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
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:
gavage-rat LD50 [sex: M/F] > 5000 mg/kg
(Elleman, 1979)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for hexyl (E)-2-methyl-3-pentenoate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
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: 13
Click here to view publication 13
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -0.40000
beverages(alcoholic): -0.40000
breakfast cereal: --
cheese: --
chewing gum: -0.40000
condiments / relishes: --
confectionery froastings: -0.40000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -0.40000
granulated sugar: --
gravies: --
hard candy: -0.40000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -0.40000
soups: --
sugar substitutes: --
sweet sauces: --
 
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

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 :6366072
National Institute of Allergy and Infectious Diseases:Data
hexyl (E)-2-methylpent-3-enoate
Chemidplus:0058625959
 
References:
 hexyl (E)-2-methylpent-3-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6366072
Pubchem (sid):135109272
 
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:2916.19.6000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
caramellic
maltyl isobutyrate
FL/FR
citrus
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
earthy
3-
octanol
FL/FR
ethereal
iso
propyl formate
FL/FR
fatty
allyl octanoate
FL/FR
2,4-
decadien-1-ol
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
(Z)-3-
octen-1-ol
FL/FR
fermented
propyl nonanoate
FL/FR
floral
benzyl isobutyrate
FL/FR
citronellyl acetate
FL/FR
geranyl propionate
FL/FR
methoxycitronellal
FR
methoxymelonal
FL/FR
muguet carbaldehyde
FR
beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
rose butanoate
FL/FR
fruity
allyl butyrate
FL/FR
allyl hexanoate
FL/FR
allyl propionate
FL/FR
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
berry pentadienoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
cyclohexyl carboxylic acid
FL/FR
diethyl sebacate
FL/FR
ethyl 2-octenoate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl 3-nonenoate
FL/FR
methyl nonanoate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
plum crotonate
FR
iso
propyl 2-methyl butyrate
FL/FR
propyl 2,4-decadienoate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
green heptenal
FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
manzanate (Givaudan)
FL/FR
melon acetal
FL/FR
melon nonenoate
FL/FR
methyl octine carbonate
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(Z)-5-
octen-1-ol
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
1-
penten-3-ol
FL/FR
terpinyl propionate
FL/FR
hay
para-
methyl phenoxyacetaldehyde
FR
herbal
viridiflorol
FL/FR
melon
melon carboxaldehyde
FR
melon heptenal
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(Z)-6-
nonenal
FL/FR
watermelon ketone
FR
mushroom
3-
octen-2-ol
FL/FR
phenolic
2'-
hydroxyacetophenone
FL/FR
spicy
cinnamyl isovalerate
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
grapefruit menthane
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
passiflora acetate
FL/FR
1-
phenethyl mercaptan
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
genet absolute
FL/FR
hotrienol
FL/FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
ethyl nonanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
nonyl acetate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
costus root absolute
FL
costus root resinoid
FL
ethyl 3-octenoate
FL
(Z)-3-
hepten-1-ol
FL/FR
S-(
methyl thio) hexanoate
FL
1-
phenethyl mercaptan
FL/FR
propyl nonanoate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
viridiflorol
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
allyl propionate
FL/FR
dipropyl trisulfide
FL
tropical thiazole
FL/FR
citrus
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
fatty
allyl octanoate
FL/FR
2,4-
decadien-1-ol
FL/FR
(E,E)-2,4-
decadienal
FL
2,4-
nonadien-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(Z)-3-
octen-1-ol
FL/FR
floral
citronellyl acetate
FL/FR
hotrienol
FL/FR
tropical ionone
FL/FR
fruity
allyl hexanoate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl isobutyrate
FL/FR
berry pentadienoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
cinnamyl isovalerate
FL/FR
cyclohexyl carboxylic acid
FL/FR
diethyl sebacate
FL/FR
ethyl 2-octenoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methoxymelonal
FL/FR
methyl (E)-3-nonenoate
FL
methyl 2-methyl valerate
FL/FR
methyl 3-nonenoate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical trithiane
FL/FR
green
allyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
melon acetal
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl octine carbonate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(E,E)-2,6-
nonadienal
FL
(E)-2-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(Z)-6-
nonenal
FL/FR
beta-
ocimene
FL/FR
(E,E)-2,4-
octadienal
FL
(Z)-5-
octen-1-ol
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
1-
penten-3-ol
FL/FR
terpinyl propionate
FL/FR
hay
genet absolute
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
meaty
3-
mercapto-2-butanone
FL
melon
propyl 2,4-decadienoate
FL/FR
mushroom
3-
octen-2-ol
FL/FR
musty
3-
octanol
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
oily
tetrahydrofurfuryl propionate
FL
orris
costus root oil
FL
sulfurous
buchu mercaptan
FL/FR
grapefruit menthane
FL/FR
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
1-
methyl thio-2-propanone
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
2-
tropical oxathiane
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
nonyl acetate
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 hexyl (3E)-2-methylpent-3-enoate
 hexyl (E)-2-methyl-3(4)-pentenoate
 hexyl (E)-2-methylpent-3-en-1-oate
 hexyl (E)-2-methylpent-3-enoate
 hexyl 2-methyl-3-pentenoate (high cis)
 hexyl 2-methyl-3&4-pentenoate (mixture)
 hexyl-2-methylpent-(3 and 4)-enoate
(E)-2,3-methyl pentenoic acid hexyl ester
3-pentenoic acid, 2-methyl-, hexyl ester, (3E)-
3-pentenoic acid, 2-methyl-, hexyl ester, (E)-
 
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy