Vetivert acetate supplier | CasNO.62563-80-8

Name
VETIVERYL ACETATE
EINECS 263-597-9
CAS No. 62563-80-8
Density 0.99 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₆O₂
Boiling Point 335.3 °C at 760 mmHg
Molecular Weight 262.39
Flash Point 149.9 °C
Transport Information
Appearance
Safety 37
Risk Codes 38
Molecular Structure
Hazard Symbols Xi
Synonyms (4,8-dimethyl-2-propan-2-ylidene-3,3a,6,7,8,8a-hexahydro-1H-azulen-6-yl) acetate;Vetiveryl acetate;Vetiver acetate;Vetiverol, acetate;Vetiveryl acetate (Vetiveria zizanioides (L.) Nash);
PSA 26.30000
LogP 4.26680

Vetivert acetate Specification

The Vetivert acetate, with the CAS registry number 62563-80-8, is also known as Vetiveryl acetate. It belongs to the product categories of Alphabetical Listings; Essential Oils Flavors and Fragrances; Flavors and Fragrances; Q-Z. Its EINECS number is 263-597-9. This chemical's molecular formula is C₁₇H₂₆O₂ and molecular weight is 262.39. What's more, its systematic name is 4,8-dimethyl-2-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl acetate. Its classification code is Skin / Eye Irritant. It is irritating to skin. When using it, you need wear suitable gloves.

Physical properties of Vetivert acetate are: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.76; (5)ACD/BCF (pH 5.5): 14022.56; (6)ACD/BCF (pH 7.4): 14022.56; (7)ACD/KOC (pH 5.5): 32350.93; (8)ACD/KOC (pH 7.4): 32350.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 77.57 cm³; (15)Molar Volume: 262.9 cm³; (16)Polarizability: 30.75×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 57.84 kJ/mol; (21)Boiling Point: 335.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC2/C=C(\C1C(C/C(=C(/C)C)C1)C(C2)C)C)C
(2)InChI: InChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3
(3)InChIKey: UAVFEMBKDRODDE-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. 12, Pg. 1011, 1974.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 12, Pg. 1011, 1974.

Product Name

VETIVERYL ACETATE

Vetivert acetate Specification

Related Products

Hot Products