(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 (IUPAC)
formula :C13 H16 O3
NMR Predictor :Predict
 
 
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 :
Category :fragrance agents
 
maximum skin levels for fine fragrances :
  0.1700 %   and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).  (IFRA, 2002)
recommendation for (E)-2-hexen-1-yl salicylate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics :
  3.7500 %
dermal systemic exposure in cosmetic products :
 0.0955 mg/kg/day  (IFRA, 2002)
recommendation for (E)-2-hexen-1-yl salicylate flavor 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
RIFM :listed
FMA :listed
synonyms :
[(E)-hex-2-enyl] 2-hydroxybenzoate
(E)-2-hexen-1-yl 2-hydroxybenzoate
(E)-2-hexen-1-yl salicylate
trans-2-hexen-1-yl salicylate
(E)-2-hexenyl salicylate
trans-2-hexenyl salicylate
2-hydroxybenzoic acid (2E)-2-hexen-1-yl ester
Similar Products:    note
 allyl salicylate
 amyl salicylate
isoamyl salicylate
 benzyl salicylate
 bornyl salicylate
 butyl salicylate
isobutyl salicylate
 cinnamyl salicylate
ortho-cresyl salicylate
para-cresyl salicylate
 cyclohexyl salicylate
 decyl salicylate
2-ethyl hexyl salicylate
 ethyl salicylate
 heptyl salicylate
(Z)-3-hexen-1-yl salicylate
 hexyl salicylate
 menthyl salicylate
homomenthyl salicylate
2-methyl butyl salicylate
 methyl salicylate
 octyl salicylate
 phenethyl salicylate
3-phenyl propyl salicylate
 phenyl salicylate
 prenyl salicylate
 propyl salicylate
isopropyl salicylate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
isoamyl salicylateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 apple ketalFL/FR
 benzyl methyl etherFL/FR
 bergoxaneFR
 bicyclogermacrene 
 birch bud oilFL/FR
 bornyl salicylateFR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
isobutyl salicylateFL/FR
beta-cadinene 
alpha-campholenic aldehydeFL/FR
 chrysanthemum oxideFL/FR
 cinnamyl formateFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 clary sage absoluteFL/FR
 cotinus coggygria oil 
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
isocyclogeraniolFR
 cyclohexyl salicylateFR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
isodihydrolavandulalFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
 earthy acetalFL/FR
 elemi oilFL/FR
alpha-elemolFL/FR
 ethyl 2-benzyl butyrateFL/FR
2-ethyl hexyl salicylateFR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
beta-eudesmol 
isoeugenyl formateFL/FR
 farnesyl acetateFL/FR
 fir balsam absoluteFR
 floral butanalFR
 flower hexeneFR
 fresh nitrileFR
 galbanum absoluteFL/FR
 galbanum oilFL/FR
 galbanum oleoresinFL
 galbanum resinoidFR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
 green acetateFR
 heptanolFL/FR
(Z)-3-hexen-1-yl cinnamateFR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl salicylateFL/FR
 hydroxycitronellal diethyl acetalFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 karo karounde absoluteFR
 linaloolFL/FR
 marine hexaneFR
 mesitene lactoneFR
 methyl 2-undecynoateFL
 methyl cyclocitroneFR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
4-methyl-4-phenyl pentanoneFR
alpha-methylene citronellalFR
 mimosa absoluteFL/FR
 muguet undecadienalFR
 neroli ketoneFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
(Z)-6-nonen-1-alFL/FR
 nonisyl formateFR
 oakmoss absoluteFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
beta-ocimeneFL/FR
 octanal dimethyl acetalFL/FR
 octanal propylene glycol acetalFL/FR
2-octanolFL/FR
3-octyl acetateFL/FR
 octyl oxyacetaldehydeFR
 orange leaf absoluteFL/FR
 papaya isobutyrateFL/FR
 peach pivalateFR
 peanut oxazoleFL
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
(Z,E)-phytolFL/FR
isopulegolFL/FR
 rose butanoateFL/FR
 spruce needle absoluteFL/FR
 styralyl formateFL/FR
 terpinyl isobutyrateFL/FR
 terpinyl propionateFL/FR
alpha-thujene 
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 tricyclodecenyl acetateFR
 valerian absoluteFL/FR
 valerian root oilFL/FR
 valerian root oil chinaFL/FR
 valerian root oil CO2 extract chinaFL/FR
 woody acetateFR
potential uses :
 floral
 fresh
 green
 natural
 woody
natural occurrence in :    note
 not found in nature  

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