(E)-2-hexen-1-yl phenyl acetate
  • 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):
      147 trans-2-HEXENYL PHENYL ACETATE
       
 
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[(E)-hex-2-enyl] 2-phenylacetate (Click)
CAS Number: 68133-78-8
ECHA EC Number: 268-705-8
MDL: MFCD00036543
XlogP3-AA: 3.60 (est)
Molecular Weight: 218.29586000
Formula: C14 H18 O2
NMR Predictor: Predict
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
Flavis Number: 09.400 (Old)
EU SANCO Food Flavourings: 09.400  (E)-hex-2-enyl phenylacetate

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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98300 to 0.99300 @  25.00 °C.
Pounds per Gallon - (est).: 8.180 to  8.263
Refractive Index: 1.49700 to 1.50400 @  20.00 °C.
Melting Point: 37.00 °C. @ 760.00 mm Hg
Boiling Point: 97.00 °C. @ 1.00 mm Hg
Boiling Point: 336.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 4.391 (est)
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium
Odor Description:
at 100.00 %. 
green mossy rum honey
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Bedoukian Research
trans-2-HEXENYL PHENYL ACETATE
TCI AMERICA
trans-2-Hexen-1-yl Phenylacetate
For experimental / research use only.
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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.
S 36 - Wear suitable protective clothing.
 
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:
  oral-rat LD50  > 5000 mg/kg

Dermal Toxicity:
  skin-rabbit LD50 > 5000 mg/kg

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Structure Class: I
Recommendation for (E)-2-hexen-1-yl phenyl acetate usage levels up to:
  4.0000 % in the fragrance concentrate.
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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...
European Food Safety Authority (EFSA) reference(s):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
page or pdf
EPI System: View
Chemicalize.org: Calculate predicted properties
EPA Substance Registry Services (TSCA): 68133-78-8
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 [(E)-hex-2-enyl] 2-phenylacetate
Chemidplus: 0068133788
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References:
 [(E)-hex-2-enyl] 2-phenylacetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68133-78-8
Pubchem (cid): 5368236
Pubchem (sid): 135065868
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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
Export Tariff Code: 2916.35.1500
ChemSpider: View
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Potential Blenders and core components note
1-acetyl cyclohexyl acetateFL
 allyl hexanoateFL/FR
 allyl phenoxyacetateFL/FR
 allyl phenyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
isoamyl phenyl acetateFL/FR
isoamyl pyruvateFL/FR
para-anisyl phenyl acetateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 artemisyl ketoneFL/FR
 beeswax absoluteFL/FR
 benzyl methyl etherFL/FR
 berry pentadienoateFL/FR
 bran absoluteFR
isobutyl benzyl carbinolFL/FR
isobutyl butyrateFL/FR
alpha-butyl cinnamaldehydeFL/FR
 butyl formateFL/FR
4-tert-butyl phenolCS
 butyl phenyl acetateFL/FR
 cardamom absoluteFL/FR
 carnation absoluteFR
 caryophyllene alcoholFL/FR
beta-caryophyllene alcoholFL/FR
 chamomile flower oil germanyFL/FR
 chrysanthemum oxideFL/FR
 cinnamyl formateFL/FR
 cistus cyclohexanoneFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
 citronellyl valerateFL/FR
 clary sage absoluteFL/FR
 cocoa butenalFL/FR
 cocoa pentenalFL/FR
para-cresyl phenyl acetateFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
 cyclohexanone diethyl acetalFL/FR
 cyclohexyl acetic acidFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
 decanal diethyl acetalFL/FR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decenalFL/FR
2-decenalFL/FR
 decyl propionateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dihydrocitronellyl acetateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
2,4-dimethyl-2-pentenoic acidFL
1-dodecanolFL/FR
 earthy acetalFL/FR
 ethyl (E)-2-crotonateFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl 2-methyl-2-pentenoateFR
 ethyl acetateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl formateFL/FR
 ethyl heptanoateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl nonanoateFL/FR
2-ethyl octine carbonateFL
 ethyl phenyl acetateFL/FR
 ethyl propionateFL/FR
 ethyl pyruvateFL/FR
 eugenyl phenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 farnesyl acetateFL/FR
 floral butanalFR
 flower hexeneFR
 fruity carboxylateFR
 geranium absoluteFL/FR
 geranium oil bourbonFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 geranyl methyl tiglate 
 geranyl phenyl acetateFL/FR
 grapefruit pentanolFR
 guaiacyl phenyl acetateFL/FR
 hay absoluteFR
 heptyl acetateFL/FR
3-hexanoneFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
1-hexen-3-olFL/FR
1-hexen-3-yl acetateFL
(E)-3-hexenoic acidFL
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth acetalsFL/FR
 hydroxycitronellal diethyl acetalFL/FR
 immortelle absoluteFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 kewda absolute 
 kewda oilCS
 linalyl phenyl acetateFL/FR
 linalyl propionateFL/FR
 longiborneol 
 marine hexaneFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-undecynoateFL
ortho-methyl acetophenoneFL/FR
 methyl butyl phenyl acetateFL/FR
 methyl cyclocitroneFR
para-methyl hydratropaldehydeFL/FR
 methyl hydrocinnamateFL/FR
 methyl octine carbonateFL/FR
 methyl phenyl acetateFL/FR
 methyl propionateFL/FR
(E)-methyl tiglateFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
4-methyl-4-phenyl pentanoneFR
 mimosa absolute franceFL/FR
 muguet carbinolFL/FR
 muguet undecadienalFR
 neroli oil bigardeFL/FR
 nerolidolFL/FR
 oakmoss absoluteFL/FR
 oakmoss phenolFR
 ocean propanal / methyl anthranilate schiff's baseFR
 octanal dimethyl acetalFL/FR
 octyl isovalerateFL/FR
 octyl oxyacetaldehydeFR
 orange leaf absoluteFL/FR
bitter orangeflower absolute moroccoFL/FR
 osmanthus flower absoluteFL/FR
 papaya isobutyrateFL/FR
 peach pivalateFR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl furoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenethyl tiglateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl acetic acidFL/FR
 phenyl glycol diacetateFR
2-phenyl propionaldehyde ethylene glycol acetalFR
2-phenyl propyl butyrateFL/FR
3-phenyl propyl formateFL/FR
 phenyl pyruvic acidFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
 prenyl formateFL/FR
isopropyl anthranilateFL/FR
 propyl formateFL/FR
 propyl phenyl acetateFL/FR
 pyruvaldehydeFL
 rhodinyl phenyl acetateFL/FR
 rhubarb pyranFR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose butanoateFL/FR
 rose carboxylateFR
(Z)-rose oxideFL/FR
 santalyl phenyl acetateFL/FR
 sea resorcylateFR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydromyrcenyl acetateFR
1,2,3,4-tetrahydroquinolineFR
 tobacco leaf absoluteFL/FR
 verdyl acetateFR
isovaleraldehyde propylene glycol acetalFL/FR
 veramossFR
 waxy acetateFR
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Potential Uses:
 freesiaFR
 greenFR
 honey mielFR
 neroliFR
 oakmoss mousse de chene mossFR
 orange blossomFR
 orchidFR
 saffronFR
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Natural Occurrence in: note
 not found in nature
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Synonyms:
 benzeneacetic acid, (2E)-2-hexen-1-yl ester
 benzeneacetic acid, (2E)-2-hexenyl ester
 benzeneacetic acid, 2-hexenyl ester, (E)-
(2E)-hex-2-en-1-yl phenylacetate
(E)-hex-2-enyl phenyl acetate
(E)-hex-2-enyl phenylacetate
[(E)-hex-2-enyl] 2-phenylacetate
(E)-2-hexen-1-yl phenyl acetate
trans-2-hexen-1-yl phenyl acetate
trans-2-hexen-1-yl phenylacetate
(E)-2-hexenyl phenyl acetate
trans-2-hexenyl phenyl acetate
(E)-2-hexenyl phenylacetate
trans-2-hexenyl phenylacetate
 phenylacetic acid trans-2-hexen-1-yl ester
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Similar Items: note
allyl phenyl acetate
amyl phenyl acetate
isoamyl phenyl acetate
para-anisyl phenyl acetate
benzyl phenyl acetate
isobornyl phenyl acetate
butyl phenyl acetate
isobutyl phenyl acetate
cinnamyl phenyl acetate
citronellyl phenyl acetate
meta-cresyl phenyl acetate
para-cresyl phenyl acetate
cyclohexyl phenyl acetate
dimethyl octanyl phenyl acetate
ethyl phenyl acetate
eugenyl phenyl acetate
isoeugenyl phenyl acetate
furfuryl phenyl acetate
geranyl phenyl acetate
guaiacyl phenyl acetate
heptyl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
hexyl phenyl acetate
linalyl phenyl acetate
menthyl phenyl acetate
laevo-menthyl phenyl acetate
methyl butyl phenyl acetate
methyl phenyl acetate
neryl phenyl acetate
nonyl phenyl acetate
octyl phenyl acetate
phenethyl phenyl acetate
phenyl propyl phenyl acetate
propyl 4-tert-butyl phenyl acetate
propyl phenyl acetate
isopropyl phenyl acetate
rhodinyl phenyl acetate
santalyl phenyl acetate
tetrahydrofurfuryl phenyl acetate
Soluble in:
 alcohol
 water, 7.167 mg/L @ 25 °C (est)
Insoluble in:
 water
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