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(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

HCID 20163670
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
91060-96-7
Standard SMILES
CC1Cc2cc(CO)ccc2O1
InChIKey
OFKLNIJKLDJVRR-UHFFFAOYSA-N
Molecular formula
C10H12O2
Average molar mass
164.2 g/mol
Monoisotopic mass
164.08372962

Names & identifiers

Preferred name
(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
IUPAC
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

Names & synonyms

91060-96-7(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolRefChem:396057864-680-8(2-Methyl-2,3-dihydrobenzofuran-5-yl)methanol(2-Methyl-2,3-dihydro-benzofuran-5-yl)-methanolCHEMBL4589715SCHEMBL10366114OFKLNIJKLDJVRR-UHFFFAOYSA-NRDA06096AKOS000442208AKOS024052807
Show more names
CS-02453895-hydroxymethyl-2-methyl-2,3-dihydrobenzofuranEN300-304246G40861Z274787916

Database identifiers

CAS
91060-96-7
PubChem CID
20163670
ChEMBL
CHEMBL4589715
EC Number
864-680-8

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
158

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Related reactions

3 records
New reaction record
HRID 256392 reaction equation
HRID 256392As reactantuspto-grants-1987_10
HRID 256404 reaction equation
HRID 256404As productuspto-grants-1987_10
HRID 2309978 reaction equation
HRID 2309978As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes