hexyl 2-methyl-3-pentenoate
hexyl 2-methylpent-3-enoate
 
Notes:
Flavouring ingredient. Component of *FEMA 3693* together with the 4-methyl isomer
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      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.
      US Email: Customer Service
      US Voice: 1-203-830-4000
      US Fax: 1-203-830-4010
      News
      Products List: View
      Product(s):
      514 HEXYL 2-METHYL-3-PENTENOATE (HIGH CIS) ≥97.0%, Kosher
      SDS
      Can be used as a fixative for lily of the valley, rose, hyacinth formulations.
      A good base for tropicals and a good modifier for melon, grape, apple and pineapple flavors.
       
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      08-42200 HEXYL-2-METHYL-3-PENTENOATE, Kosher
       
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Fragrance Demo Formulas
hexyl 2-methylpent-3-enoate (Click)
CAS Number: 85508-08-3Picture of molecule
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 Mainterm: HEXYL 2-METHYL-3(OR 4)-PENTENOATE
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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
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Organoleptic Properties:
Odor Type: tropical
Odor Strength: medium
 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)
Substantivity: 19 hour(s) at 100.00 %
  
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Cosmetic Information:
None found
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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.
Parchem
hexyl 2-methyl-3-pentenoate
Penta International
HEXYL-2-METHYL-3-PENTENOATE, Kosher
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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:
gavage-rat LD50  [sex: M/F] > 5000 mg/kg
(Elleman, 1979)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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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
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: --
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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
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References:
 hexyl 2-methylpent-3-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6366072
Pubchem (sid): 135109272
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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
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
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
acidic
2-ethyl butyric acidFL/FR
balsamic
isoamyl benzoateFL/FR
 guaieneFL/FR
isopropyl cinnamateFL/FR
caramellic
 maltyl isobutyrateFL/FR
 strawberry furanone acetateFL/FR
citrus
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
earthy
3-octanolFL/FR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 allyl octanoateFL/FR
2,4-decadien-1-olFL/FR
(E,Z)-2,6-dodecadienalFL/FR
fermented
 propyl nonanoateFL/FR
floral
 acetal 318FR
para-anisyl butyrateFL/FR
 benzyl isobutyrateFL/FR
 blue lagoon fragranceFR
 cassis specialtyFR
 citronellyl acetateFL/FR
black currant bud concreteFL/FR
 ethyl linalyl acetateFR
isoeugenyl ethyl acetalFR
 geranyl propionateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
alpha-iononeFL/FR
 jasmin absolute (from pommade)FL/FR
 methoxycitronellalFR
 methoxymelonalFL/FR
 muguet carbaldehydeFR
beta-ocimeneFL/FR
 phenethyl acetateFL/FR
 rhodinolFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 rose butanoateFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 styralyl isobutyrateFL/FR
fruity
 allyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
 allyl propionateFL/FR
 amyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 berry pentadienoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
 butyl valerateFL/FR
2-isobutyl-5-methyl thiazole 
neocaspireneFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl carboxylic acidFL/FR
 diethyl sebacateFL/FR
 ethyl 2-octenoateFL/FR
 geranyl methyl tiglate 
(E)-2-hepten-1-yl acetateFL/FR
 heptyl butyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
 kiwi specialtyFR
 lychee fragranceFR
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 3-nonenoateFL/FR
 methyl cyclohexyl acetateFR
 methyl nonanoateFL/FR
(Z)-3-octen-1-olFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 plum crotonateFR
isopropyl 2-methyl butyrateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum specialtyFR
 green heptenalFR
 heptanal dimethyl acetalFL/FR
(Z)-3-hepten-1-olFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
 manzanate (Givaudan)FL/FR
 melon acetalFL/FR
 melon nonenoateFL/FR
 methyl octine carbonateFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(Z)-2-nonen-1-olFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-5-octen-1-olFL/FR
(Z)-5-octen-1-yl propionateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 terpinyl propionateFL/FR
2,2,4-trimethyl-1,3-oxathiane 
hay
para-methyl phenoxyacetaldehydeFR
herbal
 barosma betulina leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 viridiflorolFL/FR
honey
 methyl phenyl acetateFL/FR
melon
 melon carboxaldehydeFR
 melon heptenalFL/FR
(Z)-6-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(Z)-6-nonenalFL/FR
 watermelon ketoneFR
mushroom
3-octen-2-olFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
spicy
 cinnamyl isovalerateFL/FR
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
4-tropical oxathianeFL/FR
terpenic
gamma-terpineneFL/FR
tropical
cis-galbanum oxathianeFL/FR
 genet absoluteFL/FR
 hotrienolFL/FR
3-nonen-4-olideFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 passion fruit fragranceFR
 pina colada fragranceFR
 triflaige AFR
 tropical 3-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
waxy
 ethyl nonanoateFL/FR
2,4-nonadien-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
 nonyl acetateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
2-isobutyl-5-methyl thiazole 
neocaspireneFL/FR
 costus root absoluteFL
 costus root resinoidFL
 diethyl sebacateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
 ethyl 2-(methyl thio) acetateFL
 ethyl 3-octenoateFL
 guaieneFL/FR
(Z)-3-hepten-1-olFL/FR
(E)-2-hepten-1-yl acetateFL/FR
 melon acetalFL/FR
 methyl 2-(methyl thio) acetateFL
S-(methyl thio) hexanoateFL
(E)-6-methyl-3-hepten-2-oneFL/FR
(Z)-3-nonen-1-olFL/FR
3-nonen-4-olideFL/FR
1-phenethyl mercaptanFL
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
isopropyl cinnamateFL/FR
 propyl nonanoateFL/FR
 rhodinyl isobutyrateFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 sorbyl propionateFL
 styralyl isobutyrateFL/FR
2,2,4-trimethyl-1,3-oxathiane 
S-tropical 2-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
 viridiflorolFL/FR
 allyl thiohexanoateFL
acidic
2-ethyl butyric acidFL/FR
alliaceous
 allyl propionateFL/FR
 dipropyl trisulfideFL
 tropical thiazoleFL/FR
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
creamy
 triacetinFL
fatty
 allyl octanoateFL/FR
2,4-decadien-1-olFL/FR
(E,E)-2,4-decadienalFL
2,4-nonadien-1-olFL/FR
(Z)-2-nonen-1-olFL/FR
(Z)-3-octen-1-olFL/FR
floral
 citronellyl acetateFL/FR
 hotrienolFL/FR
alpha-iononeFL/FR
 jasmin absolute (from pommade)FL/FR
 methyl phenyl acetateFL/FR
 rhodinolFL/FR
 rhodinyl butyrateFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 tropical iononeFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
isoamyl benzoateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
black currant bud concreteFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 geranyl methyl tiglate 
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
 hexyl hexanoateFL/FR
3-mercaptohexyl hexanoateFL
 methoxymelonalFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-methyl valerateFL/FR
 methyl 3-nonenoateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 passion fruit distillatesFL
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
4-tropical oxathianeFL/FR
 tropical trithianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
(E,Z)-2,6-dodecadienalFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
cis-galbanum oxathianeFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl octine carbonateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
3,6-nonadien-1-yl acetateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
(E,E)-2,6-nonadienalFL
(E)-2-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(Z)-6-nonenalFL/FR
beta-ocimeneFL/FR
(E,E)-2,4-octadienalFL
(Z)-5-octen-1-olFL/FR
(Z)-5-octen-1-yl propionateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 terpinyl propionateFL/FR
hay
 genet absoluteFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu oil fractionsFL
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
juicy
 lychee mercaptan acetateFL/FR
meaty
3-mercapto-2-butanoneFL
melon
 propyl 2,4-decadienoateFL/FR
mushroom
3-octen-2-olFL/FR
musty
para-anisyl butyrateFL/FR
3-octanolFL/FR
naphthyl
2'-hydroxyacetophenoneFL/FR
oily
 tetrahydrofurfuryl propionateFL
orris
 costus root oilFL
sulfurous
 buchu mercaptanFL/FR
 grapefruit menthaneFL/FR
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
1-methyl thio-2-propanoneFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
 anacardium occidentale fruit pureeFL
 heptyl butyrateFL/FR
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
 nonyl acetateFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 fruitFR
 melonFR
 tropicalFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
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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
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