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Merck
CN

W509876

Sigma-Aldrich

cis-3-Hexenyl salicylate

≥97%

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About This Item

Linear Formula:
2-(HO)C6H4CO2CH2CH2CH=CHC2H5
CAS Number:
65405-77-8
Molecular Weight:
220.26
FEMA Number:
4750
EC Number:
265-745-8
MDL number:
MFCD00036486
UNSPSC Code:
12164502
PubChem Substance ID:
24902046
Flavis number:
9.570

Key Documents

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biological source

synthetic

grade

Kosher

Assay

≥97%

may contain

<0.10% alpha-tocopherol, synthetic as stabilizer

refractive index

n20/D 1.521 (lit.)

bp

271 °C (lit.)

density

1.059 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Organoleptic

balsam; green

SMILES string

[H]\C(CC)=C(/[H])CCOC(=O)c1ccccc1O

InChI

1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-

InChI key

IEPWIPZLLIOZLU-ARJAWSKDSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBH0038V
S32080
10318MG
16227KR
07002KN

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Sensitization to cis-3-hexenyl salicylate.
W G van Ketel
Contact dermatitis, 9(2), 154-154 (1983-03-01)
A Lapczynski et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 45 Suppl 1, S402-S405 (2007-11-24)
A toxicologic and dermatologic review of cis-3-hexenyl salicylate when used as a fragrance ingredient is presented.
Daniel W Shaw
Dermatitis : contact, atopic, occupational, drug, 17(3), 152-155 (2006-09-08)
A 62-year-old woman developed allergic contact dermatitis from sunscreens containing octisalate (octyl salicylate, 2-ethylhexyl salicylate) and from a fragrance containing cis-3-hexenyl salicylate. Results of patch testing and provocative use testing confirmed that she was allergic to octisalate. Provocative use testing
Chang Di et al.
Insect biochemistry and molecular biology, 84, 48-62 (2017-04-04)
Lepidopteran caterpillars rely on olfaction and gustation to discriminate among food sources. Compared to the larval gustation, the larval olfaction has been poorly investigated. To uncover the molecular basis of olfaction in Helicoverpa armigera larvae, we identified 17 odorant receptor

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