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88-84-6

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Basic Information
CAS No.: 88-84-6
Name: GUAIENE
Article Data: 3
Molecular Structure:
Molecular Structure of 88-84-6 (GUAIENE)
Formula: C15H24
Molecular Weight: 204.356
Synonyms: Azulene,1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-cis)-;Guaia-1(5),7(11)-diene (8CI); Guaiene (7CI); b-Guaiene; b-Guajene
Density: 0.8895 (estimate)
Boiling Point: 277.87°C (rough estimate)
Safety: Low toxicity by ingestion and skin contact. A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 4.86930
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Chemistry

IUPAC Name: 1,4-Dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
CAS: 88-84-6
The Molecular formula of 1,4-Dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene (CAS NO.88-84-6): C15H24
The Molecular Weight of 1,4-Dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene (CAS NO.88-84-6): 204.35 The Molecular Structure of 1,4-Dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene (CAS NO.88-84-6):

Density: 0.9 g/cm3 
Flash Point: 111.7 °C
Boiling Point: 282.2 °C at 760 mmHg  
Index of Refraction: 1.498 
Molar Refractivity: 66.27 cm3 
Molar Volume: 225.7 cm3 
Polarizability: 26.27×10-24cm3 
Surface Tension: 29.9 dyne/cm 
Enthalpy of Vaporization: 50.01 kJ/mol 
Vapour Pressure: 0.00582 mmHg at 25°C 
Water Solubility: 0.03035(mg/L) at 25°C

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H SEV

     FCTXAV    Food and Cosmetics Toxicology. 17 (1979),371.
2.    

orl-rat LD50:>5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 17 (1979),371.
3.    

skn-rbt LD50:>5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 17 (1979),371.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

  1,4-Dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene with CAS number of 88-84-6 is also known as 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)-,(1S-cis)-Azulene ; 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulen(1s-ci ; 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulene ; 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulene,(1s,ci ; 1,4-Dimethyl-7-(1-methylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene ; Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-cis)- ; Azulene,1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-,(1s, ; beta-cis-Guaiene .