(E)-2-hexen-1-yl phenyl acetate
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IUPAC name :[(E)-hex-2-enyl] 2-phenylacetate
InChI :InChI=1/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h4-10H,2-3,11-12H2,1H3/b8-4+
InChIKey :BYGAPGDXGHDYGP-XBXARRHUBL
SMILES :CCC/C=C/COC(=O)CC1=CC=CC=C1
cas number :68133-78-8
(EINECS) number :268-705-8
fl. number :09.400
molar refractivity :65.43 ± 0.3 cm3
parachor :534.5 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :35.8 ± 3.0 dyne/cm
density :0.999 ± 0.06 g/cm3
polarizability :25.93 ± 0.5 10-24cm3
XlogP : 3.90
XlogP3-AA : 3.60
molecular weight : 218.2915200 (IUPAC)
formula :C14 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2916.35.1500
fda reg :unspecified

organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
green mossy rum honey

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98300 to 0.99300 @ 25.00 °C.
pounds per gallon - calc. : 8.180 to 8.263
refractive index :1.49700 to 1.50400 @ 20.00 °C.
boiling point : 97.00 °C. @ 1.00 mm Hg
vapor density :>1 ( Air = 1 )
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 4.39

safety :
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.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for (E)-2-hexen-1-yl phenyl acetate usage levels up to :
  4.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 [(E)-hex-2-enyl] 2-phenylacetate
(EINECS) number :268-705-8
chemidplus :068133788
EPA Substance Registry Services :68133-78-8

references :
 [(E)-hex-2-enyl] 2-phenylacetate
fl. number :09.400
pubchem :686888

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
(E)-hex-2-enyl phenyl acetate
[(E)-hex-2-enyl] 2-phenylacetate
trans-2-hexen-1-yl phenyl acetate
(E)-2-hexenyl phenyl acetate
trans-2-hexenyl phenyl acetate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
1-acetyl cyclohexyl acetate
 allyl hexanoate
 allyl phenoxyacetate
 allyl phenyl acetate
isoamyl 3-(2-furan) propionate
 amyl benzoate
alpha-amyl cinnamyl alcohol
isoamyl phenyl acetate
isoamyl pyruvate
para-anisyl phenyl acetate
 anisyl propanal / methyl anthranilate schiff's base
 artemisyl ketone
 beeswax absolute
 benzyl methyl ether
 berry pentadienoate
 bran absolute
isobutyl benzyl carbinol
isobutyl butyrate
alpha-butyl cinnamaldehyde
 butyl formate
4-tert-butyl phenol
 butyl phenyl acetate
 cardamom absolute
 carnation absolute
 caryophyllene alcohol
beta-caryophyllene alcohol
 chamomile flower oil germany
 chrysanthemum oxide
 cinnamyl formate
 cistus cyclohexanone
 citral dimethyl acetal
 citronellyl acetate
 citronellyl isovalerate
 citronellyl phenyl acetate
 citronellyl propionate
 citronellyl valerate
 clary sage absolute
 cocoa butenal
 cocoa pentenal
para-cresyl phenyl acetate
 cumin carbinol
 cuminyl acetaldehyde
 cyclohexanone diethyl acetal
 cyclohexyl acetic acid
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
 decanal diethyl acetal
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
 decyl propionate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl octanyl acetate
 dimethyl succinate
6,8-dimethyl-2-nonanol
2,4-dimethyl-2-pentenoic acid
 dodecanol
 earthy acetal
 ethyl (E)-crotonate
 ethyl 2-benzyl butyrate
 ethyl 2-methyl-2-pentenoate
 ethyl acetate
 ethyl cyclopentenolone
 ethyl formate
 ethyl heptanoate
 ethyl hydrocinnamate
 ethyl methyl-para-tolyl glycidate
 ethyl nonanoate
2-ethyl octine carbonate
 ethyl phenyl acetate
 ethyl propionate
 ethyl pyruvate
 eugenyl phenyl acetate
isoeugenyl phenyl acetate
 farnesyl acetate
 floral butanal
 flower hexene
 fruity carboxylate
 geranium absolute
 geranium oil
 geranyl acetone
 geranyl isobutyrate
 geranyl methyl tiglate
 geranyl phenyl acetate
 grapefruit pentanol
 guaiacyl phenyl acetate
 hay absolute
 heptyl acetate
3-hexanone
(E)-2-hexen-1-yl formate
(Z)-3-hexen-1-yl salicylate
1-hexen-3-ol
1-hexen-3-yl acetate
(E)-3-hexenoic acid
alpha-hexyl cinnamaldehyde
 hyacinth acetal
 hydroxycitronellal diethyl acetal
 immortelle absolute
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
 jonquil absolute
 kewda absolute
 kewda oil
 linalyl phenyl acetate
 linalyl propionate
 longiborneol
 marine hexane
 methyl (E)-2-hexenoate
 methyl 2-undecynoate
2'-methyl acetophenone
 methyl butyl phenyl acetate
 methyl cyclocitrone
para-methyl hydratropaldehyde
 methyl hydrocinnamate
 methyl octine carbonate
 methyl phenyl acetate
 methyl propionate
 methyl tiglate
2-methyl undecanal
4-methyl-4-phenyl pentanone
 mimosa absolute
 muguet carbinol
 muguet undecadienal
 neroli oil
 nerolidol
 oakmoss absolute
 oakmoss phenol
 ocean propanal / methyl anthranilate schiff's base
 octanal dimethyl acetal
 octyl isovalerate
 octyl oxyacetaldehyde
 orange leaf absolute
 orangeflower absolute
 osmanthus absolute
 papaya isobutyrate
 peach pivalate
 phenethyl acetate
 phenethyl anthranilate
 phenethyl benzoate
 phenethyl furoate
 phenethyl hexanoate
 phenethyl isopropyl ether
 phenethyl oxyacetaldehyde
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl tiglate
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
 phenyl acetic acid
 phenyl glycol diacetate
2-phenyl propionaldehyde ethylene glycol acetal
2-phenyl propyl butyrate
3-phenyl propyl formate
 phenyl pyruvic acid
(E)-2-phenyl-1(2)-propene-1-yl acetate
 prenyl formate
isopropyl anthranilate
 propyl formate
 propyl phenyl acetate
 pyruvaldehyde
 rhodinyl phenyl acetate
 rhubarb pyran
 rose absolute morocco
 rose butanoate
 rose carboxylate
(Z)-rose oxide
 santalyl phenyl acetate
 sea resorcylate
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl formate
 terpinyl isobutyrate
 tetrahydrofurfuryl acetate
 tetrahydromyrcenyl acetate
1,2,3,4-tetrahydroquinoline
 tobacco leaf absolute
 tricyclodecenyl acetate
isovaleraldehyde propylene glycol acetal
 verymoss
 waxy acetate

(odor and/or flavor) used in :
 freesia
 green
 honey miel
 moss
 neroli
 orange blossom fleur d'oranger
 orchid
 rum

natural occurrence in :
not found in nature



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