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cis-3-Hexenyl salicylate

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cis-3-Hexenyl salicylate

EINECS 265-745-8
CAS No. 65405-77-8 Density 1.09 g/cm3
PSA 46.53000 LogP 2.90530
Solubility insoluble in water,Organic solvents: Soluble Melting Point N/A
Formula C13H16O3 Boiling Point 314.8 °C at 760 mmHg
Molecular Weight 220.268 Flash Point 126.2 °C
Transport Information N/A Appearance Colorless to pale yellow liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 65405-77-8 (cis-3-Hexenyl salicylate) Hazard Symbols

Benzoicacid, 2-hydroxy-, (3Z)-3-hexenyl ester (9CI);Benzoic acid, 2-hydroxy-,3-hexenyl ester, (Z)-;

Article Data 3

cis-3-Hexenyl salicylate Chemical Properties

Product Name: cis-3-Hexenyl salicylate (CAS NO.65405-77-8)

Molecular Formula: C13H16O3
Molar mass: 220.2643 g/mol
EINECS: 265-745-8
Density: 1.09 g/cm3
Flash Point: 126.2 °C
Index of Refraction: 1.537
Boiling Point: 314.8 °C at 760 mmHg
Vapour Pressure: 0.000246 mmHg at 25°C     
Index of Refraction: 1.471
Molar Refractivity: 47.45 cm3 
Molar Volume: 169.6 cm3
XLogP3-AA: 4.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of cis-3-Hexenyl salicylate (CAS NO.65405-77-8):
  IUPAC Name: [(E)-Hex-3-enyl] 2-hydroxybenzoate
  Isomeric SMILES: CC/C=C/CCOC(=O)C1=CC=CC=C1O
  InChI: 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+ 
Product categories: Alphabetical Listings; Flavors and Fragrances

cis-3-Hexenyl salicylate Toxicity Data With Reference


skn-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),373.

orl-rat LD50:5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),373.

skn-rbt LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),373.

cis-3-Hexenyl salicylate Consensus Reports

Reported in EPA TSCA Inventory.

cis-3-Hexenyl salicylate Safety Profile

Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Safety Information of cis-3-Hexenyl salicylate (CAS NO.65405-77-8): 
Hazard Codes: Xi
Risk Statements:
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing

cis-3-Hexenyl salicylate Specification

 cis-3-Hexenyl salicylate (CAS NO.65405-77-8) also can be called (3Z)-3-Hexen-1-yl salicylate ; 3-Hexenyl salicylate ; Benzoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)- ; Benzoic acid, 2-hydroxy-, (3Z)-3-hexen-1-yl ester and Benzoic acid, 2-hydroxy-, (3Z)-3-hexenyl ester .

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