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| CAS No.: | 65405-77-8 |
|---|---|
| Name: | cis-3-Hexenyl salicylate |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H16O3 |
| Molecular Weight: | 220.268 |
| Synonyms: | Benzoicacid, 2-hydroxy-, (3Z)-3-hexenyl ester (9CI);Benzoic acid, 2-hydroxy-,3-hexenyl ester, (Z)-; |
| EINECS: | 265-745-8 |
| Density: | 1.09 g/cm3 |
| Boiling Point: | 314.8 °C at 760 mmHg |
| Flash Point: | 126.2 °C |
| Solubility: | insoluble in water,Organic solvents: Soluble |
| Appearance: | Colorless to pale yellow liquid |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 2.90530 |
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Chemistry
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
Canonical SMILES: CCC=CCCOC(=O)C1=CC=CC=C1O
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+
InChIKey: IEPWIPZLLIOZLU-ONEGZZNKSA-N
Product categories: Alphabetical Listings; Flavors and Fragrances
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 17 (1979),373. | ||
| 2. | orl-rat LD50:5 g/kg | FCTXAV Food and Cosmetics Toxicology. 17 (1979),373. | ||
| 3. | skn-rbt LD50:>5 g/kg | FCTXAV Food and Cosmetics Toxicology. 17 (1979),373. |
Consensus Reports
Reported in EPA TSCA Inventory.
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.gif){kind=small}
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
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 .