EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(E)-2-hexen-1-yl salicylate
trans-2-hexenyl salicylate

Sponsors

Name:[(E)-hex-2-enyl] 2-hydroxybenzoate
CAS Number: 68133-77-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:268-704-2
Nikkaji Web:J334.054F
XlogP3:3.50 (est)
Molecular Weight:220.26812000
Formula:C13 H16 O3
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 90.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.05000 to 1.07000 @ 25.00 °C.
Pounds per Gallon - (est).: 8.737 to 8.903
Refractive Index:1.51000 to 1.53000 @ 20.00 °C.
Boiling Point: 115.00 °C. @ 1.00 mm Hg
Vapor Pressure:0.000152 mm/Hg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 4.817 (est)
Soluble in:
 alcohol
 water, 9.518 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: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
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
green woody floral orchid balsamic
Odor Description:at 100.00 %. green woody floral
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
trans-2-HEXENYL SALICYLATE
Odor Description:Fresh salicylate odor
Used in perfumes for fresh effect.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
trans-2-HEXENYL SALICYLATE
Odor: Fresh salicylate odor
Use: Used in perfumes for fresh effect.
Citrus and Allied Essences
trans-2-Hexenyl Salicylate
Market Report
 
Safety Information:
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.
 
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 4430 mg/kg
Used in perfumes for fresh effect.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Used in perfumes for fresh effect.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
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 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
EPA Substance Registry Services (TSCA):68133-77-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6437473
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
[(E)-hex-2-enyl] 2-hydroxybenzoate
Chemidplus:0068133777
 
References:
 [(E)-hex-2-enyl] 2-hydroxybenzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68133-77-7
Pubchem (cid):6437473
Pubchem (sid):135065867
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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:2918.23.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
muguet undecadienal
FR
balsamic
fir balsam absolute
FR
(Z)-3-
hexen-1-yl cinnamate
FR
alpha-
methyl cinnamyl alcohol
FR
phenyl salicylate
FR
caramellic
mesitene lactone
FR
citrus
citrus woody floral fragrance
FR
grapefruit pentanol
FR
alpha-
methylene citronellal
FR
neroli ketone
FR
floral
anisyl propanal / methyl anthranilate schiff's base
FR
azalea fragrance
FR
cumin carbinol
FR
cyclohexyl salicylate
FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
4-
dimethyl ionone
FR
6,8-
dimethyl-2-nonanol
FR
elder flower wood specialty
FR
2-
ethyl hexyl salicylate
FR
floral butanal
FR
alpha-
ionyl acetate
FR
jasmin cyclopentanol
FR
jonquil absolute
FR
karo karounde absolute
FR
melaleuca ericifolia leaf oil
FR
mimusops elengi flower oil
FR
ocean propanal / methyl anthranilate schiff's base
FR
bitter
orangeflower concrete
FR
orris rhizome absolute replacer
FR
petitgrain oil terpenes
FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
2-iso
propoxyethyl salicylate
FR
rose concrete (rosa centifolia)
FR
verdyl acetate
FR
vetiver pentanone
FR
fruity
1,4-
diisopropyl-6,8-dioxabicyclo(3.2.1)octane
FR
fruity butanate
FR
green acetate
FR
peach pivalate
FR
green
bergoxane
FR
flower hexene
FR
fresh nitrile
FR
iso
green methanoindene
FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
methyl cyclocitrone (IFF)
FR
4-
methyl-4-phenyl pentanone
FR
octyl oxyacetaldehyde
FR
herbal
bornyl salicylate
FR
calendula officinalis flower oil CO2 extract
FR
cananga fruit oil
FR
eucalyptus citriodora oil
FR
nonisyl formate
FR
tricyclo(5.2.1.02,6)dec-3-enyl acetate
FR
marine
marine hexane
FR
mossy
moss specialty
FR
musk
amyris specialty
FR
spicy
amyl isoeugenol
FR
cananga leaf oil
FR
cinnamaldehyde / methyl anthranilate schiff's base
FR
iso
cyclogeraniol (IFF)
FR
black
poplar bud absolute
FR
spicy carbonate
FR
woody
anthocephalus cadamba oil
FR
cabreuva wood oil
FR
chloranthus spicatus absolute
FR
2-
decalinyl acetate
FR
homalomena rubescens root oil
FR
3-
methyl pentyl angelate
FR
sandal octanol
FR
woody acetate
FR
(Z)-
woody amylene
FR
zdravetz absolute
FR
For Flavor
green
methyl 2-undecynoate
FL
nutty
peanut oxazole
FL
 
Potential Uses:
FRfloral
FRfresh & clean
FRgreen
 natural
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzoic acid, 2-hydroxy-, (2E)-2-hexen-1-yl ester
 benzoic acid, 2-hydroxy-, (2E)-2-hexenyl ester
 benzoic acid, 2-hydroxy-, 2-hexenyl ester, (E)-
(2E)-hex-2-en-1-yl salicylate
[(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
 
 
Notes:
None found
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