Basic information
- CAS
103262-83-5- Standard SMILES
Cc1ccc(CC(=O)O)cc1O- InChIKey
JVWHEFWNYRUQMG-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 2-(3-Hydroxy-4-methylphenyl)acetic acid
- IUPAC
- 2-(3-hydroxy-4-methylphenyl)acetic acid
- English name
- (3-hydroxy-4-methylphenyl)acetic acid
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
2-(3-hydroxy-4-methylphenyl)acetic acid103262-83-5RefChem:455609818-952-8(3-hydroxy-4-methylphenyl)acetic acidMFCD05863285(3-hydroxy-4-methyl-phenyl)-acetic acidSCHEMBL4066457DEA26283SBB087982AKOS0062952092-(3-hydroxy-4-methylphenyl)aceticacid
Show more names
Benzeneacetic acid, 3-hydroxy-4-methyl-2-(3-hydroxy-4-methyl-phenyl)acetic acidDB-327746CS-0225977EN300-125375G37877AO-289/42804212F647890
Database identifiers
- CAS
103262-83-5- PubChem CID
- 820261
- EC Number
- 818-952-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 108 · 108-109 °C
- Boiling point
- 348.9 · 348.9±27.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
上海睿升化工科技有限公司15026594951 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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