CAS No.10519-11-6,DECAHYDRO-2-NAPHTHOL ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10519-11-6
Name:	DECAHYDRO-2-NAPHTHOL ACETATE
Article Data:	13

Formula:	C₁₂H₂₀O₂
Molecular Weight:	196.29
Synonyms:	2-Naphthalenol,decahydro-, acetate (9CI);2-Naphthol, decahydro-, acetate (8CI);2-Decalinylacetate;Decahydro-2-naphthyl acetate;Decahydro-b-naphthyl acetate;NSC 85888;
EINECS:	234-054-3
Density:	1g/cm³
Boiling Point:	252.2 °C at 760 mmHg
Flash Point:	104.3 °C
Solubility:	54mg/L at 20℃
PSA:	26.30000
LogP:	2.90840

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Toxicity Data With Reference

skn-rbt 500 mg/24H MOD

FCTXAV Food and Cosmetics Toxicology. 17 (1979),755.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

The 2-Decalinyl acetate is an organic compound with the formula C₁₂H₂₀O₂. The IUPAC name of this chemical is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate. With the CAS registry number 10519-11-6, it is also named as 2-naphthalenol, decahydro-, acetate . The product's classification code is Skin / Eye Irritant. Besides, it should be stored in cool and dry place.

Physical properties about 2-Decalinyl acetate are: (1)ACD/LogP: 3.78; (2)ACD/LogD (pH 5.5): 3.78; (3)ACD/LogD (pH 7.4): 3.78; (4)ACD/BCF (pH 5.5): 441.88; (5)ACD/BCF (pH 7.4): 441.88; (6)ACD/KOC (pH 5.5): 2723.41; (7)ACD/KOC (pH 7.4): 2723.41; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 55.31 cm³; (13)Molar Volume: 194.5 cm³; (14)Polarizability: 21.92×10^-24cm³; (15)Surface Tension: 34.3 dyne/cm; (16)Density: 1 g/cm³; (17)Flash Point: 104.3 °C; (18)Enthalpy of Vaporization: 48.96 kJ/mol; (19)Boiling Point: 252.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0196 mmHg at 25°C.

Preparation: this chemical can be prepared by Naphthol. This reaction will need catalyst rhodium, alumina and solvent acetic alcohol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC2CC1C(CCCC1)CC2)C
(2)InChI: InChI=1/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3
(3)InChIKey: XKCLIPLFEJSOAT-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3
(5)Std. InChIKey: XKCLIPLFEJSOAT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 755, 1979.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 755, 1979.