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

hexyl 2-methyl-3-pentenoate
hexyl 2-methylpent-3-enoate

Sponsors

Fragrance Demo Formulas
CAS Number: 85508-08-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:287-432-5
Nikkaji Web:J310.588A
XlogP3-AA:4.00 (est)
Molecular Weight:198.30574000
Formula:C12 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
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
FEMA Number:3693 hexyl 2-methyl-3-pentenoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: HEXYL 2-METHYL-3(OR 4)-PENTENOATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86400 to 0.88400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.189 to 7.356
Refractive Index:1.42400 to 1.44400 @ 20.00 °C.
Boiling Point: 80.00 °C. @ 10.00 mm Hg
Boiling Point: 247.00 to 248.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.026000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 214.00 °F. TCC ( 101.11 °C. )
logP (o/w): 4.532 (est)
Shelf Life: 60.00 month(s) or longer if stored properly.
Soluble in:
 alcohol
 water, 6.351 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: tropical
Odor Strength:medium
Substantivity:19 hour(s) at 100.00 %
fruity tropical sweet waxy spicy guaiacwood green cantaloupe rindy
Odor Description:at 100.00 %. fruity tropical sweet waxy spicy guaiacwood green cantaloupe rind
Luebke, William tgsc, (2009)
Odor sample from: Bedoukian Research, Inc.
Flavor Type: fruity
">fruity tropical pear green melon rindy spicy
Taste Description: fruity tropical pear green melon rindy spicy
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) ≥97.0%, Kosher
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:fruity
A good base for tropicals and a good modifier for melon, grape, apple and pineapple flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS)
≥97.0%, Kosher
Odor: A delicately tropical aroma reminiscent of melon or muscat grape with peppery back notes
Use: Can be used as a fixative for lily of the valley, rose, hyacinth formulations.
Flavor: fruity
A good base for tropicals and a good modifier for melon, grape, apple and pineapple flavors.
BOC Sciences
For experimental / research use only.
HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) 97.0%
Parchem
hexyl 2-methyl-3-pentenoate
Penta International
HEXYL-2-METHYL-3-PENTENOATE, Kosher
 
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:
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
Recommendation for hexyl 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
 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...

EPI System: View
EPA Substance Registry Services (TSCA):85508-08-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6366072
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
hexyl 2-methylpent-3-enoate
Chemidplus:0085508083
 
References:
 hexyl 2-methylpent-3-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6366072
Pubchem (sid):135109272
 
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
HMDB (The Human Metabolome Database):HMDB40158
FooDB:FDB019864
Export Tariff Code:2916.19.6000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
satinaldehyde
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
aldehydic
decanal (aldehyde C-10)
FL/FR
balsamic
iso
amyl benzoate
FL/FR
linalyl cinnamate
FL/FR
iso
propyl cinnamate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
strawberry furanone acetate
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
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl octanoate
FL/FR
2,4-
decadien-1-ol
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
5-
methyl-5-hexen-2-one
FL/FR
2-
nonenal
FL/FR
fermented
propyl nonanoate
FL/FR
floral
acetal 318
FR
para-
anisyl butyrate
FL/FR
benzyl isobutyrate
FL/FR
blue lagoon fragrance
FR
cassis specialty
FR
citronellyl acetate
FL/FR
black
currant bud concrete
FL/FR
ethyl linalyl acetate
FR
iso
eugenyl ethyl acetal
FR
(E)-
geranyl acetone
FL/FR
geranyl acetone
FL/FR
geranyl propionate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
hydroxycitronellal diethyl acetal
FL/FR
alpha-
ionone
FL/FR
jasmin absolute (from pommade)
FL/FR
lilac pentanol
FL/FR
methoxycitronellal
FR
methoxymelonal
FL/FR
muguet carbaldehyde
FR
neryl acetate
FL/FR
beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
rhodinol
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose absolute (rosa damascena) turkey
FL/FR
rose butanoate
FL/FR
rose oil (rosa damascena) turkey
FL/FR
styralyl isobutyrate
FL/FR
styralyl propionate
FL/FR
fruity
allyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
allyl propionate
FL/FR
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
benzyl butyrate
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
neo
caspirene
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
diethyl sebacate
FL/FR
ethyl 2-octenoate
FL/FR
heliotropyl isobutyrate
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
kiwi specialty
FR
lychee fragrance
FR
3-
mercaptohexyl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl 3-nonenoate
FL/FR
methyl cyclohexyl acetate
FR
methyl nonanoate
FL/FR
(Z)-3-
octen-1-ol
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
galbanum specialty
FR
green heptenal
FR
green note propionate
FL/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 isovalerate
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
hexyl hexanoate
FL/FR
manzanate (Givaudan)
FL/FR
marigold pot absolute
FL/FR
melon acetal
FL/FR
melon nonenoate
FL/FR
methyl octine carbonate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
3,6-
nonadien-1-ol
FL/FR
(Z,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
(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
3-
octyl formate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
3-
phenyl propionaldehyde
FL/FR
terpinyl propionate
FL/FR
violet leaf absolute
FL/FR
hay
para-
methyl phenoxyacetaldehyde
FR
herbal
barosma betulina leaf oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
2-
pentyl acetate
FL/FR
viridiflorol
FL/FR
honey
methyl phenyl acetate
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
myrcene
FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
grapefruit menthane
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
genet absolute
FL/FR
hotrienol
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
passion fruit fragrance
FR
pina colada fragrance
FR
psidium guajava fruit extract
FL/FR
triflaige A
FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
ethyl nonanoate
FL/FR
heptyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
nonyl acetate
FL/FR
woody
guaiene
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
neo
caspirene
FL/FR
costus root absolute
FL
costus root resinoid
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
ethyl 2-(methyl thio) acetate
FL
ethyl 3-octenoate
FL
(Z)-3-
hepten-1-ol
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
methyl 2-(methyl thio) acetate
FL
S-(
methyl thio) hexanoate
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
3-
nonen-4-olide
FL/FR
1-
phenethyl mercaptan
FL
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
propyl nonanoate
FL/FR
rose absolute (rosa damascena) turkey
FL/FR
sorbyl propionate
FL
styralyl isobutyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
allyl thiohexanoate
FL
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
allyl propionate
FL/FR
dipropyl trisulfide
FL
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
citrus
grapefruit mercaptan
FL/FR
styralyl propionate
FL/FR
coconut
delta-
octalactone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
creamy
triacetin
FL
dairy
2-
pentyl acetate
FL/FR
ethereal
4-
hexen-3-one
FL
5-
methyl-5-hexen-2-one
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
2-
nonenal
FL/FR
(Z)-3-
octen-1-ol
FL/FR
floral
citronellyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl acetone
FL/FR
hotrienol
FL/FR
alpha-
ionone
FL/FR
jasmin absolute (from pommade)
FL/FR
methyl phenyl acetate
FL/FR
neryl acetate
FL/FR
rhodinol
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose oil (rosa damascena) turkey
FL/FR
satinaldehyde
FL/FR
tropical ionone
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
iso
amyl benzoate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl butyrate
FL/FR
benzyl isobutyrate
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
cinnamyl isovalerate
FL/FR
black
currant bud concrete
FL/FR
cyclohexyl carboxylic acid
FL/FR
diethyl sebacate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
tropical
fruit flavor
FL
heliotropyl isobutyrate
FL/FR
2,4-
hexadien-1-ol
FL
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl hexanoate
FL/FR
kiwi flavor
FL
lilac pentanol
FL/FR
linalyl cinnamate
FL/FR
lychee flavor
FL
2-
mercapto-4-heptanol
FL
3-
mercaptohexyl hexanoate
FL
methoxymelonal
FL/FR
methyl (E)-3-nonenoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl 3-nonenoate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
papaya guava flavor
FL
passion fruit distillates
FL
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
4-
tropical oxathiane
FL/FR
tropical trithiane
FL/FR
iso
valeraldehyde propylene glycol acetal
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
cis-
galbanum oxathiane
FL/FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
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 isovalerate
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 (E)-tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
marigold pot absolute
FL/FR
melon acetal
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl octine carbonate
FL/FR
3,6-
nonadien-1-ol
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
phenoxyethyl isobutyrate
FL/FR
3-
phenyl propionaldehyde
FL/FR
terpinyl propionate
FL/FR
violet leaf absolute
FL/FR
hay
genet absolute
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
meaty
3-
mercapto-2-butanone
FL
melon
hydroxycitronellal diethyl acetal
FL/FR
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
4-
methoxy-2-methyl butane 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
anacardium occidentale fruit puree
FL
3-
mercaptohexyl acetate
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
psidium guajava fruit
FL
psidium guajava fruit extract
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
decanal (aldehyde C-10)
FL/FR
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
heptyl octanoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
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
3-
octyl formate
FL/FR
winey
methyl nonanoate
FL/FR
woody
guaiene
FL/FR
 
Potential Uses:
FRfruit
FRmelon
FLtropical
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 hexyl 2-methyl pent-3-en-1-oate
 hexyl 2-methyl-3-pentenoate (high cis)
 hexyl 2-methylpent-3-en-1-oate
 hexyl 2-methylpent-3-enoate
 hexyl-2-methyl-3-pentenoate
2,3&4-methyl pentenoic acid hexyl ester
 
 
Notes:
Flavouring ingredient. Component of *FEMA 3693* together with the 4-methyl isomer
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