(E)-2-hexen-1-yl phenyl acetate
trans-2-hexenyl phenylacetate
 
Notes:
None found
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      Product(s):
      68133-78-8 Phenylacetic acid trans-2-hexen-1-yl ester
       
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      Product(s):
      P1045 trans-2-Hexen-1-yl Phenylacetate
       
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CAS Number: 68133-78-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 268-705-8
Nikkaji Web: J208.916E
MDL: MFCD00036543
XlogP3-AA: 3.60 (est)
Molecular Weight: 218.29586000
Formula: C14 H18 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
PubMed: Search
NCBI: Search
DG SANTE 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 mmHg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 4.391 (est)
Soluble in:
 alcohol
 water, 7.167 mg/L @ 25 °C (est)
Insoluble in:
 water
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
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: green
 
 green  mossy  rummy  honey  
Odor Description:
at 100.00 %. 
green mossy rum honey
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
trans-2-HEXENYL PHENYL ACETATE
Odor Description: Green, rummy character with sweet honey-like dry down
Primarily used for persistent sweet notes in fragrances.
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
Phenylacetic acid trans-2-hexen-1-yl ester
Santa Cruz Biotechnology
For experimental / research use only.
trans-2-Hexen-1-yl Phenylacetate
TCI AMERICA
For experimental / research use only.
trans-2-Hexen-1-yl Phenylacetate
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Safety Information:
Preferred SDS: View
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
Primarily used for persistent sweet notes in fragrances.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Primarily used for persistent sweet notes in fragrances.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (E)-2-hexen-1-yl phenyl acetate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1800 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 4.100007.77000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 3.300005.95000
Edible ices, including sherbet and sorbet (03.0): 3.300005.95000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 3.300005.95000
Confectionery (05.0): 6.170009.81000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 3.300005.95000
Bakery wares (07.0): 6.800009.71000
Meat and meat products, including poultry and game (08.0): 3.300005.95000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 3.300005.95000
Eggs and egg products (10.0): 3.300005.95000
Sweeteners, including honey (11.0): 3.300005.95000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 1.000003.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 1.750002.69000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.320002.17000
Ready-to-eat savouries (15.0): 3.300005.95000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 3.300005.95000
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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)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 68133-78-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5368236
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 2011 (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: 2916.39.7700
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
acidic
 cyclohexyl acetic acidFL/FR
aldehydic
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 muguet undecadienalFR
animal
para-cresyl phenyl acetateFL/FR
1,2,3,4-tetrahydroquinolineFR
anisic
para-anisyl phenyl acetateFL/FR
balsamic
isoamyl pyruvateFL/FR
 cinnamyl formateFL/FR
 guaiacyl phenyl acetateFL/FR
caramellic
 ethyl cyclopentenoloneFL/FR
 immortelle absoluteFL/FR
cereal
 bran absoluteFR
chocolate
isoamyl phenyl acetateFL/FR
 cocoa pentenalFL/FR
citrus
 citral dimethyl acetalFL/FR
(E)-4-decenalFL/FR
 grapefruit pentanolFR
 tetrahydromyrcenyl acetateFR
dairy
 methyl butyl phenyl acetateFL/FR
ethereal
 decyl propionateFL/FR
 ethyl acetateFL/FR
 ethyl formateFL/FR
 ethyl pyruvateFL/FR
1-hexen-3-olFL/FR
(E)-methyl tiglateFL/FR
 propyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
2-decenalFL/FR
 methyl (E)-2-hexenoateFL/FR
fermented
 ethyl (E)-2-crotonateFL/FR
 amyl benzoateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
alpha-butyl cinnamaldehydeFL/FR
 cardamom absoluteFL/FR
 citronellyl acetateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
 citronellyl valerateFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
6,8-dimethyl-2-nonanolFR
 ethyl 2-benzyl butyrateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl phenyl acetateFL/FR
 farnesyl acetateFL/FR
 floral butanalFR
 geranium oil bourbonFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth acetalsFL/FR
 hydroxycitronellal diethyl acetalFL/FR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 kewda absolute 
 kewda oilCS
 linalyl phenyl acetateFL/FR
 linalyl propionateFL/FR
ortho-methyl acetophenoneFL/FR
 mimosa absolute franceFL/FR
 muguet carbinolFL/FR
 neroli oil bigardeFL/FR
 nerolidolFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 octyl isovalerateFL/FR
 orange leaf absoluteFL/FR
bitter orangeflower absolute moroccoFL/FR
 papaya isobutyrateFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl glycol diacetateFR
2-phenyl propionaldehyde ethylene glycol acetalFR
3-phenyl propyl formateFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
isopropyl anthranilateFL/FR
 rhodinyl phenyl acetateFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose butanoateFL/FR
 rose carboxylateFR
(Z)-rose oxideFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
 verdyl acetateFR
fruity
 allyl hexanoateFL/FR
 allyl phenoxyacetateFL/FR
 benzyl methyl etherFL/FR
 berry pentadienoateFL/FR
isobutyl butyrateFL/FR
 butyl formateFL/FR
 cyclohexanone diethyl acetalFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
beta-damasconeFL/FR
 dimethyl succinateFL/FR
 ethyl heptanoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
 fruity carboxylateFR
 geranyl methyl tiglate 
3-hexanoneFL/FR
 methyl propionateFL/FR
 osmanthus flower absoluteFL/FR
 peach pivalateFR
2-phenyl propyl butyrateFL/FR
 prenyl formateFL/FR
 rhubarb pyranFR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 tetrahydrofurfuryl acetateFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isobutyl benzyl carbinolFL/FR
 chrysanthemum oxideFL/FR
 decanal propylene glycol acetalFL/FR
 earthy acetalFL/FR
 flower hexeneFR
 geranium absoluteFL/FR
 heptyl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 methyl cyclocitrone (IFF)FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
4-methyl-4-phenyl pentanoneFR
 octanal dimethyl acetalFL/FR
 octyl oxyacetaldehydeFR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl tiglateFL/FR
 phenyl acetaldehydeFL/FR
hay
 beeswax absoluteFL/FR
 hay absoluteFR
 tobacco leaf absoluteFL/FR
herbal
 artemisyl ketoneFL/FR
 clary sage absoluteFL/FR
 matricaria chamomilla flower oilFL/FR
honey
 allyl phenyl acetateFL/FR
 butyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
 methyl phenyl acetateFL/FR
 phenethyl furoateFL/FR
 phenyl acetic acidFL/FR
 phenyl pyruvic acidFL/FR
 propyl phenyl acetateFL/FR
jammy
 ethyl 2-methyl-2-pentenoateFR
leathery
4-tert-butyl phenolCS
marine
 marine hexaneFR
mossy
 longiborneol 
 oakmoss absoluteFL/FR
 oakmoss phenolFR
 sea resorcylateFR
 veramoss (IFF)FR
musty
 cocoa butenalFL/FR
spicy
alpha-amyl cinnamyl alcoholFL/FR
 carnation absoluteFR
 caryophyllene alcoholFL/FR
beta-caryophyllene alcoholFL/FR
 eugenyl phenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
thujonic
 cistus cyclohexanoneFL/FR
waxy
 decanal diethyl acetalFL/FR
3-decanoneFL/FR
 dihydrocitronellyl acetateFL/FR
1-dodecanolFL/FR
 ethyl nonanoateFL/FR
 waxy acetateFR
woody
 santalyl phenyl acetateFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl benzoateFL/FR
isoamyl pyruvateFL/FR
 artemisyl ketoneFL/FR
 butyl formateFL/FR
beta-caryophyllene alcoholFL/FR
 caryophyllene alcoholFL/FR
 cistus cyclohexanoneFL/FR
 citronellyl isovalerateFL/FR
 citronellyl valerateFL/FR
 cyclohexanone diethyl acetalFL/FR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
 decyl propionateFL/FR
 dihydrocitronellyl acetateFL/FR
 earthy acetalFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl hydrocinnamateFL/FR
 eugenyl phenyl acetateFL/FR
 kewda absolute 
 linalyl phenyl acetateFL/FR
 longiborneol 
 methyl (E)-2-hexenoateFL/FR
 methyl hydrocinnamateFL/FR
(E)-methyl tiglateFL/FR
 octyl isovalerateFL/FR
 phenethyl furoateFL/FR
3-phenyl propyl formateFL/FR
 prenyl formateFL/FR
isopropyl anthranilateFL/FR
 santalyl phenyl acetateFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
alpha-butyl cinnamaldehydeFL/FR
beta-damasconeFL/FR
amber
isobutyl benzyl carbinolFL/FR
anisic
para-anisyl phenyl acetateFL/FR
ortho-methyl acetophenoneFL/FR
aromatic
 hyacinth acetalsFL/FR
brown
 beeswax absoluteFL/FR
 tetrahydrofurfuryl acetateFL/FR
caramellic
 pyruvaldehydeFL
citrus
 citral dimethyl acetalFL/FR
cucumber
2-ethyl octine carbonateFL
dairy
 methyl butyl phenyl acetateFL/FR
earthy
1-hexen-3-yl acetateFL
ethereal
 ethyl acetateFL/FR
 ethyl formateFL/FR
fatty
2-decenalFL/FR
floral
isoamyl phenyl acetateFL/FR
 cardamom absoluteFL/FR
 citronellyl acetateFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
 cocoa pentenalFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 farnesyl acetateFL/FR
 geranium oil bourbonFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 methyl phenyl acetateFL/FR
 muguet carbinolFL/FR
 neroli oil bigardeFL/FR
 orange leaf absoluteFL/FR
bitter orangeflower absolute moroccoFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl propionateFL/FR
 phenyl acetic acidFL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
fruity
 allyl hexanoateFL/FR
 allyl phenoxyacetateFL/FR
 benzyl methyl etherFL/FR
 berry pentadienoateFL/FR
isobutyl butyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 dimethyl succinateFL/FR
 ethyl heptanoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
 geranyl methyl tiglate 
3-hexanoneFL/FR
 methyl propionateFL/FR
 osmanthus flower absoluteFL/FR
 propyl formateFL/FR
 rose butanoateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
isovaleraldehyde propylene glycol acetalFL/FR
grassy
 tobacco leaf absoluteFL/FR
green
 chrysanthemum oxideFL/FR
 cocoa butenalFL/FR
 cuminyl acetaldehydeFL/FR
 geranium absoluteFL/FR
 heptyl acetateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
1-hexen-3-olFL/FR
(E)-3-hexenoic acidFL
 immortelle absoluteFL/FR
 methyl 2-undecynoateFL
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 nerolidolFL/FR
 oakmoss absoluteFL/FR
 octanal dimethyl acetalFL/FR
 papaya isobutyrateFL/FR
 phenethyl tiglateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
(Z)-rose oxideFL/FR
herbal
 clary sage absoluteFL/FR
 linalyl propionateFL/FR
 matricaria chamomilla flower oilFL/FR
honey
 allyl phenyl acetateFL/FR
 butyl phenyl acetateFL/FR
 ethyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
 propyl phenyl acetateFL/FR
jammy
 ethyl cyclopentenoloneFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
melon
 hydroxycitronellal diethyl acetalFL/FR
musty
 ethyl (E)-2-crotonateFL/FR
phenolic
para-cresyl phenyl acetateFL/FR
 guaiacyl phenyl acetateFL/FR
 phenyl pyruvic acidFL/FR
ripe
(E)-4-decenalFL/FR
rummy
 ethyl pyruvateFL/FR
(E)-2-hexen-1-yl formateFL/FR
soapy
1-dodecanolFL/FR
sour
2,4-dimethyl-2-pentenoic acidFL
spicy
alpha-amyl cinnamyl alcoholFL/FR
 cinnamyl formateFL/FR
isoeugenyl phenyl acetateFL/FR
2-phenyl propyl butyrateFL/FR
sweet
 cyclohexyl acetic acidFL/FR
waxy
 decanal diethyl acetalFL/FR
 ethyl nonanoateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 mimosa absolute franceFL/FR
 phenethyl hexanoateFL/FR
 rhodinyl phenyl acetateFL/FR
 
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Potential Uses:
 freesiaFR
 greenFR
 honeyFR
 mossFR
 neroliFR
 orange blossomFR
 orchidFR
 saffronFR
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Occurrence (nature, food, other): note
 mentha oils
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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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