Isopropyl-m-cresol supplier

Name
Isopropyl-m-cresol
EINECS 215-327-6
CAS No. 1321-81-9
Density 0.974 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄O
Boiling Point 229 °C at 760 mmHg
Molecular Weight 150.2176
Flash Point 101.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol, 3-methyl(1-methylethyl)-;
PSA
LogP

Isopropyl-m-cresol Specification

The Isopropyl-m-cresol, with the CAS registry number of 1321-81-9, is also known as Phenol, 3-methyl(1-methylethyl)-. Its EINECS registry number is 215-327-6. This chemical's molecular formula is C₁₀H₁₄O and molecular weight is 150.217560. What's more, its IUPAC name is 3-Methyl-2-propan-2-ylphenol.

Physical properties about the Isopropyl-m-cresol are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 183.42; (6)ACD/BCF (pH 7.4): 183.3; (7)ACD/KOC (pH 5.5): 1451.39; (8)ACD/KOC (pH 7.4): 1450.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 47.14 cm³; (15)Molar Volume: 154.2 cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Density: 0.974 g/cm³; (18)Flash Point: 101.4 °C; (19)Enthalpy of Vaporization: 48.46 kJ/mol; (20)Boiling Point: 229 °C at 760 mmHg; (21)Vapour Pressure: 0.0471 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cccc(c1C(C)C)C
(2) InChI: InChI=1/C10H14O/c1-7(2)10-8(3)5-4-6-9(10)11/h4-7,11H,1-3H3
(3) InChIKey: AZXBHGKSTNMAMK-UHFFFAOYAH

Product Name

Isopropyl-m-cresol

Isopropyl-m-cresol Specification

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