3-Methyl-2-benzofuranmethanol

HCID 10241108

Notes Reactions

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Basic information

CAS: 55581-62-9
Standard SMILES: Cc1c(CO)oc2ccccc12
InChIKey: BPIHBHUOKWCMGZ-UHFFFAOYSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol
Monoisotopic mass: 162.06807956

Names & identifiers

Preferred name: 3-Methyl-2-benzofuranmethanol
IUPAC: (3-methyl-1-benzofuran-2-yl)methanol
English name: 2-Benzofuranmethanol, 3-methyl-
Molecular formula: C10H10O2
Molecular weight: 162.19

Names & synonyms

55581-62-93-Methyl-2-benzofuranmethanolRefChem:280771(3-methyl-1-benzofuran-2-yl)methanol(3-methylbenzofuran-2-yl)methanol2-(Hydroxymethyl)-3-methylbenzofuranMFCD151461082-(Hydroxymethyl)-3-methylbenzofuran; 3-Methylbenzofuran-2-methanol3-Methylbenzofuran-2-methanolSCHEMBL2256874BPIHBHUOKWCMGZ-UHFFFAOYSA-N2-Benzofuranmethanol, 3-methyl-

Show more names

2-Benzofuranmethanol, 3-methyl-

DTXSID101307660FCA58162AC6351(3-methyl-benzofuran-2-yl)-methanolAKOS015968027SY045663DB-117341CS-0021445

Database identifiers

CAS: 55581-62-9
PubChem CID: 10241108
DTXSID: DTXSID101307660
EC Number: 986-820-8
Nikkaji: J2.652.049E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 33.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 84 · 84-85 °C
Boiling point: 298.8 · 298.8±25.0 °C(Predicted)
Density: 1.188 · 1.188±0.06 g/cm3(Predicted)
pka: 14.05 · 14.05±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Applications

Uses3-Methylbenzofuran-2-methanol acts as a reagent in the synthesis and evaluation of 2-pyridone derivatives as H1V-1 specific reverse transcriptase inhibitors, preparation of quinoxaline-2-carboxamides as antidiabetics.