1,2-Benzenediol, 3-(1,1-dimethylethyl)- supplier

Name
3-tert-butylpyrocatechol
EINECS 223-695-4
CAS No. 4026-05-5
Article Data17
CAS DataBase
Density 1.086 g/cm³
Solubility
Melting Point 55 °C
Formula C₁₀H₁₄O₂
Boiling Point 265.6 °C at 760 mmHg
Molecular Weight 166.22
Flash Point 122.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrocatechol,3-tert-butyl- (7CI,8CI);3-tert-Butylcatechol;3-tert-Butylpyrocatechol;
PSA 40.46000
LogP 2.39530

1,2-Benzenediol, 3-(1,1-dimethylethyl)- Specification

This chemical is called 1,2-Benzenediol, 3-(1,1-dimethylethyl)-, and its systematic name is 3-tert-butylbenzene-1,2-diol. With the molecular formula of C₁₀H₁₄O₂, its molecular weight is 166.217. The CAS registry number of this chemical is 4026-05-5.

Other characteristics of the 1,2-Benzenediol, 3-(1,1-dimethylethyl)- can be summarised as followings: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.71; (6)ACD/BCF (pH 7.4): 52.55; (7)ACD/KOC (pH 5.5): 594.5; (8)ACD/KOC (pH 7.4): 592.64; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 48.4 cm³; (15)Molar Volume: 152.9 cm³; (16)Polarizability: 19.18×10^-24cm³; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.086 g/cm³; (19)Flash Point: 122.5 °C; (20)Enthalpy of Vaporization: 52.38 kJ/mol; (21)Boiling Point: 265.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00555 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Oc1c(cccc1O)C(C)(C)C
2.InChI: InChI=1/C10H14O2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,11-12H,1-3H3
3.InChIKey: JIGUICYYOYEXFS-UHFFFAOYAC

Product Name

3-tert-butylpyrocatechol

1,2-Benzenediol, 3-(1,1-dimethylethyl)- Specification

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