3,5-Di-t-butylcatechol supplier

Name
3,5-di-tert-butylbenzene-1,2-diol
EINECS
CAS No. 881376-69-8
Article Data71
CAS DataBase
Density 1.012 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₂O₂
Boiling Point 309.7 °C at 760 mmHg
Molecular Weight 222.327
Flash Point 136.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-DI(TERT-BUTYL)BENZENE-1,2-DIOL
PSA 40.46000
LogP 3.69280

3,5-Di-t-butylcatechol Specification

The 3,5-Di-t-butylcatechol is an organic compound with the formula C₁₄H₂₂O₂. With the CAS registry number 881376-69-8, the systematic name of this chemical is 3,5-di-tert-butylbenzene-1,2-diol.

Physical properties about 3,5-Di-t-butylcatechol are: (1)ACD/LogP: 4.26; (2)ACD/LogD (pH 5.5): 4.26; (3)ACD/LogD (pH 7.4): 4.26; (4)ACD/BCF (pH 5.5): 1011.68; (5)ACD/BCF (pH 7.4): 1009.31; (6)ACD/KOC (pH 5.5): 4927.25; (7)ACD/KOC (pH 7.4): 4915.75; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 66.79 cm³; (14)Molar Volume: 219.6 cm³; (15)Polarizability: 26.47×10^-24cm³; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 1.012 g/cm³; (18)Flash Point: 136.5 °C; (19)Enthalpy of Vaporization: 57.24 kJ/mol; (20)Boiling Point: 309.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000344 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cc(cc1O)C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3
(3)InChIKey: PJZLSMMERMMQBJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3
(5)Std. InChIKey: PJZLSMMERMMQBJ-UHFFFAOYSA-N

Product Name

3,5-di-tert-butylbenzene-1,2-diol

3,5-Di-t-butylcatechol Specification

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