CAS No.767-54-4,TRANS-3,3,5-TRIMETHYLCYCLOHEXANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	767-54-4
Name:	TRANS-3,3,5-TRIMETHYLCYCLOHEXANOL
Article Data:	43

Formula:	C₉H₁₈O
Molecular Weight:	142.241
Synonyms:	trans-3,5,5-Trimethylcyclohexanol;trans-3,3,5-Trimethylcyclohexanol;Cyclohexanol,3,3,5-trimethyl-, trans- (8CI);
EINECS:	212-183-6
Density:	0.878 g/cm³
Melting Point:	56 °C
Boiling Point:	187.7 °C at 760 mmHg
Flash Point:	73.2 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	2.19350

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Specification

The Cyclohexanol,3,3,5-trimethyl-, (1R,5S)-rel-, with the CAS registry number 767-54-4, is also known as trans-3,5,5-Trimethylcyclohexanol and Cyclohexanol,3,3,5-trimethyl-, trans- (8CI). Its EINECS registry number is 212-183-6. This chemical's molecular formula is C₉H₁₈O and molecular weight is 142.23862. What's more, its IUPAC name is (1R,5S)-3,3,5-Trimethylcyclohexan-1-ol.

Physical properties about Cyclohexanol,3,3,5-trimethyl-, (1R,5S)-rel- are: (1) ACD/LogP: 2.87; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.87; (4) ACD/LogD (pH 7.4): 2.87; (5) ACD/BCF (pH 5.5): 88.71; (6) ACD/BCF (pH 7.4): 88.71; (7) ACD/KOC (pH 5.5): 862.91; (8) ACD/KOC (pH 7.4): 862.91; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 9.23 Å²; (13) Index of Refraction: 1.447; (14) Molar Refractivity: 43.29 cm³; (15) Molar Volume: 161.8 cm³; (16) Polarizability: 17.16×10^-24 cm³; (17) Surface Tension: 27.1 dyne/cm; (18) Density: 0.878 g/cm³; (19) Flash Point: 73.2 °C; (20) Enthalpy of Vaporization: 49.33 kJ/mol; (21) Boiling Point: 187.7 °C at 760 mmHg; (22) Vapour Pressure: 0.173 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H]1C[C@@H](CC(C)(C)C1)C
(2) InChI: InChI=1/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3/t7-,8-/m0/s1
(3) InChIKey: BRRVXFOKWJKTGG-YUMQZZPRBU