(E)-2-hexen-1-yl salicylate
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IUPAC name :[(E)-hex-2-enyl] 2-hydroxybenzoate
InChI :InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h4-9,14H,2-3,10H2,1H3/b7-4+
InChIKey :DLWPCXLFHSLSMZ-QPJJXVBHBO
SMILES :CCC\C=C\COC(=O)C1=CC=CC=C1O
cas number :68133-77-7
(EINECS) number :268-704-2
molar refractivity :63.12 ± 0.3 cm3
parachor :513.2 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :41.7 ± 3.0 dyne/cm
density :1.090 ± 0.06 g/cm3
polarizability :25.02 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 220.2643400
formula :C13 H16 O3
 
 
export tariff code :2918.23.0000
fda reg :unspecified

Suppliers :
Citrus and Allied Essences :trans-2-hexenyl salicylate

organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
green woody floral

properties :
appearence :colorless clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05000 to 1.07000 @ 25.00 °C.
pounds per gallon - calc. : 8.737 to 8.903
refractive index :1.51000 to 1.53000 @ 20.00 °C.
boiling point : 115.00 °C. @ 1.00 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 4.65

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.
Oral Toxicity(LD50) :
  Oral-Rat    4430.00  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 salicylate usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for (E)-2-hexen-1-yl salicylate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 [(E)-hex-2-enyl] 2-hydroxybenzoate
(EINECS) number :268-704-2
chemidplus :068133777
EPA Substance Registry Services :68133-77-7

references :
 [(E)-hex-2-enyl] 2-hydroxybenzoate
pubchem :686887

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
[(E)-hex-2-enyl] 2-hydroxybenzoate
(E)-2-hexen-1-yl 2-hydroxybenzoate
trans-2-hexen-1-yl salicylate
(E)-2-hexenyl salicylate
trans-2-hexenyl salicylate
2-hydroxybenzoic acid (2E)-2-hexen-1-yl ester

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isoamyl 3-(2-furan) propionate
 amyl benzoate
 amyl cinnamate
isoamyl cinnamate
isoamyl salicylate
 anisyl propanal / methyl anthranilate schiff's base
 apple ketal
 benzyl methyl ether
 bergoxane
 bicyclogermacrene
 birch bud oil
 bornyl salicylate
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
isobutyl salicylate
beta-cadinene
alpha-campholenic aldehyde
 chrysanthemum oxide
 cinnamyl formate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 cotinus coggygria oil
 cumin carbinol
 cuminyl acetaldehyde
isocyclogeraniol
 cyclohexyl salicylate
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
isodihydrolavandulal
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl succinate
6,8-dimethyl-2-nonanol
 earthy acetal
 elemi oil
alpha-elemol
 ethyl 2-benzyl butyrate
2-ethyl hexyl salicylate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
beta-eudesmol
isoeugenyl formate
 farnesyl acetate
 fir balsam absolute
 floral butanal
 flower hexene
 fresh nitrile
 galbanum absolute
 galbanum oil
 galbanum oleoresin
 galbanum resinoid
 geranium oil
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
 green acetate
 heptanol
(Z)-3-hexen-1-yl cinnamate
alpha-hexyl cinnamaldehyde
 hexyl salicylate
 hydroxycitronellal diethyl acetal
6-hydroxydihydrotheaspirane (mixture of isomers)
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
 jonquil absolute
 karo karounde absolute
 linalool
 marine hexane
 mesitene lactone
 methyl 2-undecynoate
 methyl cyclocitrone
para-methyl hydratropaldehyde
 methyl octine carbonate
4-methyl-4-phenyl pentanone
alpha-methylene citronellal
 mimosa absolute
 muguet undecadienal
 neroli ketone
 neroli oil
 nerolidol
(Z)-6-nonen-1-al
 nonisyl formate
 oakmoss absolute
 ocean propanal / methyl anthranilate schiff's base
beta-ocimene
 octanal dimethyl acetal
 octanal propylene glycol acetal
2-octanol
3-octyl acetate
 octyl oxyacetaldehyde
 orange leaf absolute
 papaya isobutyrate
 peach pivalate
 peanut oxazole
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
(Z,E)-phytol
isopulegol
 rose butanoate
 spruce needle absolute
 styralyl formate
 terpinyl isobutyrate
 terpinyl propionate
alpha-thujene
 tricyclo(5.2.1.02,6)dec-3-enyl acetate
 tricyclodecenyl acetate
 valerian absolute
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
 woody acetate

(odor and/or flavor) used in :
 floral
 fresh
 green
 natural
 woody

natural occurrence in :
not found in nature



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