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| CAS No.: | 6969-49-9 |
|---|---|
| Name: | 2-Hydroxybenzoic acid octyl ester |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C15H22 O3 |
| Molecular Weight: | 250.338 |
| Synonyms: | Salicylicacid, octyl ester (7CI,8CI);NSC 28914;NSC 68365;Octyl 2-hydroxybenzoate;Octyl salicylate;n-Octyl salicylate; |
| EINECS: | 230-190-2 |
| Density: | 1.037 g/cm3 |
| Boiling Point: | 336.6 °C at 760 mmHg |
| Flash Point: | 130.6 °C |
| Appearance: | clear transparent oily liquid |
| Safety: | A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. |
| PSA: | 46.53000 |
| LogP: | 3.90950 |
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Chemistry
Molecular Formula: C15H22O3
Molar mass: 250.3334 g/mol
EINECS: 230-190-2
Density: 1.037 g/cm3
Flash Point: 130.6 °C
Index of Refraction: 1.511
Boiling Point: 336.6 °C at 760 mmHg
Vapour Pressure: 5.67E-05 mmHg at 25°C
Appearance: colorless oily liquid with a slight floral odor
Structure of 2-Hydroxybenzoic acid octyl ester (6969-49-9):
XLogP3-AA: 6.8
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name of 2-Hydroxybenzoic acid octyl ester (6969-49-9): octyl 2-hydroxybenzoate
Canonical SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1O
InChI: InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3
InChIKey: WCJLCOAEJIHPCW-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 16 (1978),637. |
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | parenteral | > 4gm/kg (4000mg/kg) | Chimica Therapeutica. Vol. 4, Pg. 453, 1969. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Specification
2-Hydroxybenzoic acid octyl ester (6969-49-9) , which also can be called for n-Octyl salicylate ; Salicylate de n-octyle ; Octyl salicylate ; Salicylic acid, octyl ester ; Benzoic acid, o-hydroxy-, octyl ester ,is an organic compound used as an ingredient in cosmetics and sunscreens to absorb UVB (ultraviolet) rays from the sun. It is an ester formed by the condensation of a salicylic acid with 2-ethylhexanol .
The salicylate portion of the molecule absorbs ultraviolet light for protecting skin from the harmful effects of exposure to sunlight.