1,3-Benzenedimethanol,5-methyl- supplier

Name
1,3-BenzenediMethanol, 5-Methyl
EINECS
CAS No. 27711-63-3
Article Data6
CAS DataBase
Density 1.141 g/cm³
Solubility
Melting Point 40 °C
Formula C₉H₁₂O₂
Boiling Point 308.5 °C at 760 mmHg
Molecular Weight 152.193
Flash Point 152.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms a1,a3-Mesitylenediol (8CI);(3-Hydroxymethyl-5-methylphenyl)methanol;NSC 243674;(5-Methylbenzene-1,3-diyl)dimethanol;
PSA 40.46000
LogP 0.97960

1,3-Benzenedimethanol,5-methyl- Specification

The 1,3-Benzenedimethanol,5-methyl-, with the CAS registry number 27711-63-3, is also known as (5-Methylbenzene-1,3-diyl)dimethanol. This chemical's molecular formula is C₉H₁₂O₂ and molecular weight is 152.19. What's more, its IUPAC name is [3-(hydroxymethyl)-5-methylphenyl]methanol.

Physical properties of 1,3-Benzenedimethanol,5-methyl- are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46 Å²; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 43.98 cm³; (9)Molar Volume: 133.3 cm³; (10)Surface Tension: 48.5 dyne/cm; (11)Density: 1.141 g/cm³; (12)Flash Point: 152.6 °C; (13)Enthalpy of Vaporization: 57.99 kJ/mol; (14)Boiling Point: 308.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000293 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1)CO)CO
(2)InChI: InChI=1S/C9H12O2/c1-7-2-8(5-10)4-9(3-7)6-11/h2-4,10-11H,5-6H2,1H3
(3)InChIKey: RQYHAFYMNBWIML-UHFFFAOYSA-N

Product Name

1,3-BenzenediMethanol, 5-Methyl

1,3-Benzenedimethanol,5-methyl- Specification

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