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57082-24-3

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Basic Information
CAS No.: 57082-24-3
Name: VETYNAL EXTRA
Article Data: 4
Molecular Structure:
Molecular Structure of 57082-24-3 (VETYNAL EXTRA)
Formula: C17H28 O2
Molecular Weight: 264.408
Synonyms: Tricyclo[6.3.1.02,5]dodecan-1-ol,4,4,8-trimethyl-, acetate, (1R,2S,5R,8S)- (9CI);Tricyclo[6.3.1.02,5]dodecan-1-ol,4,4,8-trimethyl-, acetate, [1R-(1a,2a,5b,8b)]-;Caryophyllene acetate;
EINECS: 260-555-1
Density: 1.02g/cm3
Boiling Point: 295.9°Cat760mmHg
Flash Point: 139.2°C
Solubility: 15.884mg/L at 25℃
Safety: Low toxicity by ingestion and skin contact. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 26.30000
LogP: 4.32470
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Chemistry

Molecular Structure of Caryophyllene acetate (CAS NO. 57082-24-3):

EINECS: 260-555-1
Name: Caryophyllene acetate
Molecular Formula: C17H28O2
Molecular Weight: 264.403020 g/mol
XLogP3-AA: 4.7
H-Bond Donor: 0
H-Bond Acceptor: 2
InChI: InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3
InChIKey: SJDDHMSVZMBJPH-UHFFFAOYSA-N
Index of Refraction: 1.504
Molar Refractivity: 76.46 cm3
Molar Volume: 257.9 cm3
Surface Tension: 36.1 dyne/cm
Density: 1.02 g/cm3
Flash Point: 139.2 °C
Enthalpy of Vaporization: 53.56 kJ/mol
Boiling Point: 295.9 °C at 760 mmHg
Vapour Pressure: 0.00148 mmHg at 25 °C
Water Solubility: 0.4762 mg/L at 25 °C
BRN of Caryophyllene acetate (CAS NO. 57082-24-3): 3138113

Toxicity Data With Reference

1.    

orl-rat LD50:>5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 12 (1974),839.
2.    

skn-rbt LD50:>5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 12 (1974),839.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

  Caryophyllene acetate with cas registry number of 57082-24-3 is also known as 3-06-00-00424 (Beilstein Handbook Reference) ; 4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-yl acetate, (1R-(1alpha,2alpha,5beta,8beta))- ; Caryophyllen acetate ; Caryophyllene alcohol acetate, beta- ; Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R-(1alpha,2alpha,5beta,8beta))- ; Tricyclo(6.3.1.0(sup 2,5))dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R-(1-alpha,2-alpha,5-beta,8-beta))- ; Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, 1-acetate, (1R,2S,5R,8S)- ; Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R,2S,5R,8S)- ; (1R-(1alpha,2alpha,5beta,8beta))-4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-yl acetate ; beta-Caryophyllene alcohol acetate .