2-hexen-1-yl acetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :hex-2-enyl acetate
InChI :InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3
InChIKey :HRHOWZHRCRZVCU-UHFFFAOYAE
SMILES :CCCC=CCOC(=O)C
(EINECS) number :233-223-9
cas number :10094-40-3
fema number :2564
coe number :643
fl. number :09.196
molar refractivity :40.94 ± 0.3 cm3
parachor :362.3 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :27.8 ± 3.0 dyne/cm
density :0.901 ± 0.06 g/cm3
polarizability :16.23 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 142.1955600
formula :C8 H14 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green fruity

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89000 to 0.89700 @ 25.00 °C.
pounds per gallon - calc. : 7.406 to 7.464
refractive index :1.42400 to 1.43000 @ 20.00 °C.
boiling point : 165.00 to 166.00 °C. @ 760.00 mm Hg

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 137.00  °F.  TCC  ( 58.33 °C. )
recommendation for 2-hexen-1-yl acetate usage levels up to :
  6.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 hex-2-enyl acetate
(EINECS) number :233-223-9
chemidplus :010094403
EPA Substance Registry Services :10094-40-3
NLM Chemical Carcinogenesis Research Information System :10094-40-3
NLM Developmental and Reproductive Toxicity :10094-40-3
NLM Env. Mutagen Info. Center :10094-40-3
NLM GENetic TOXicology :10094-40-3

references :
 hex-2-enyl acetate
fl. number :09.196
pubchem :689333
NIST Chemistry WebBook :2932607804

other :
synonyms :
 hex-2-enyl acetate
2-hexen-1-ol acetate
2-hexen-1-yl acetate
2-hexenyl acetate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl anthranilate
 allyl heptanoate
 allyl isovalerate
 allyl octanoate
 allyl salicylate
 amyl 2-methyl butyrate
 amyl acetate
isoamyl acetate
 amyl butyrate
isoamyl butyrate
 amyl heptanoate
isoamyl heptanoate
isoamyl hexanoate
 amyl isobutyrate
isoamyl isobutyrate
 amyl isovalerate
isoamyl propionate
isoamyl valerate
 apple ketal
 benzyl isovalerate
 benzyl propionate
isobutyl 2-butenoate
 butyl acetate
isobutyl acetate
 butyl heptanoate
 butyl isobutyrate
 butyl isovalerate
isobutyl isovalerate
isobutyl propionate
 cognac heptanone
neocyclocitral
 cyclohexyl butyrate
 cyclohexyl formate
 cyclohexyl isovalerate
 cyclohexyl propionate
alpha-damascone
gamma-damascone
3-decen-2-one
 decyl butyrate
 diethyl 1-malate
 diethyl maleate
 diphenyl oxide
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
2-ethyl butyl acetate
 ethyl decanoate
 ethyl hexanoate
 ethyl isovalerate
 ethyl octanoate
 ethyl valerate
 fruity ketal
 furfuryl acetate
 furfuryl propionate
 galbanum oil terpeneless
 galbanum oleoresin
 geranium absolute
(E)-geranyl acetone
 geranyl hexanoate
 geranyl isovalerate
 geranyl methyl ethyl acetate
(Z)-3-hepten-1-yl acetate
 heptyl 2-methyl butyrate
 heptyl cinnamate
 herbal heptane
3-hexanone
(E)-2-hexen-1-al
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(Z)-3-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(E)-2-hexen-1-ol
(Z)-2-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl methyl carbonate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
 hexoxyacetaldehyde dimethyl acetal
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl butyrate
 hexyl formate
 hexyl heptanoate
 hexyl isobutyrate
 leaf acetal
 leafy acetal
 leafy oxime
 linalyl butyrate
 marine formate
 methyl (E)-2-hexenoate
 methyl 2,4-decadienoate
 methyl 4-methyl valerate
2-methyl butyl acetate
 methyl butyrate
 methyl citronellate
 methyl heptine carbonate
 methyl isovalerate
 methyl valerate
3-methyl-3-pentanol
(E,Z)-2,6-nonadien-1-yl acetate
(E)-2-nonen-1-yl acetate
 nonyl isovalerate
 octanal dimethyl acetal
(E)-2-octen-1-al
(Z)-2-octen-1-al
(Z)-5-octen-1-yl propionate
2-pentanone
(E)-2-penten-1-al
 phenethyl hexanoate
3-phenyl propionaldehyde
 pineapple pentenoate
 prenyl acetate
isopropyl acetate
 propyl heptanoate
 propyl isovalerate
isopropyl isovalerate
isopropyl octanoate
isopropyl phenyl propionaldehyde
isopropyl propionate
isopulegyl formate
 rose leaf absolute
 styralyl acetate
 violet methyl carbonate

(odor and/or flavor) used in :
 apple red apple
 banana
 cranberry
 geranium
 guava
 melon honeydew
 melon watermelon muskmelon cantaloupe
 mint
 passion fruit
 pear
 pineapple
 rootbeer
 sage
 spice
 tea black tea
 tomato
 waxy
 wine
 wintergreen
 ylang ylang cananga

natural occurrence in :
found in nature



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Html Last modified 11/29/2008