(3,5-Di-tert-butylphenyl)methanolato supplier

Name
3,5-DI-TERT-BUTYLBENZYL ALCOHOL
EINECS
CAS No. 77387-57-6
Article Data13
CAS DataBase
Density 0.931 g/cm³
Solubility
Melting Point 62 °C
Formula C₁₅H₂₄O
Boiling Point 251.1 °C at 760 mmHg
Molecular Weight 220.355
Flash Point 109 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylalcohol, 3,5-di-tert-butyl- (7CI);3,5-Di-tert-butylbenzyl alcohol;
PSA 20.23000
LogP 3.77390

(3,5-Di-tert-butylphenyl)methanolato Specification

The Benzenemethanol,3,5-bis(1,1-dimethylethyl)-, with the CAS registry number 77387-57-6, is also known as 3,5-Di-tert-butylbenzyl alcohol. This chemical's molecular formula is C₁₅H₂₄O and molecular weight is 220.35. What's more, its systematic name is called (3,5-Di-tert-butylphenyl)methanolato. It should be kept in a cool, dry and sealed place.

Physical properties about Benzenemethanol,3,5-bis(1,1-dimethylethyl)- are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1325.98; (6)ACD/BCF (pH 7.4): 1325.98; (7)ACD/KOC (pH 5.5): 5980.13; (8)ACD/KOC (pH 7.4): 5980.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 69.47 cm³; (15)Molar Volume: 236.6 cm³; (16)Surface Tension: 30.6 dyne/cm; (17)Density: 0.931 g/cm³; (18)Flash Point: 109 °C; (19)Enthalpy of Vaporization: 51.61 kJ/mol; (20)Boiling Point: 251.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0109 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C
(2) InChI: InChI=1S/C15H24O/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9,16H,10H2,1-6H3
(3) InChIKey: VHYHRNYPVNFGNR-UHFFFAOYSA-N

Product Name

3,5-DI-TERT-BUTYLBENZYL ALCOHOL

(3,5-Di-tert-butylphenyl)methanolato Specification

Related Products

Hot Products