Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-
Basic information
- CAS
584-44-1- Standard SMILES
Cc1cc(O)c(C(C)C)cc1C(=O)O- InChIKey
FZGYCAHIHBHTNY-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-
- IUPAC
- 4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid
- English name
- 4-Hydroxy-5-isopropyl-2-methylbenzoic acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
584-44-1p-Thymotic acidp-Thymotinic acid5-Hydroxy-p-cymene-2-carboxylic acidBRN 28337542-Methyl-4-hydroxy-5-isopropylbenzoic acidDTXSID20207110p-CYMENE-2-CARBOXYLIC ACID, 5-HYDROXY-4-10-00-00735 (Beilstein Handbook Reference)Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-RefChem:327594DTXCID20129601
Show more names
Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-(9CI)4-hydroxy-2-methyl-5-(propan-2-yl)benzoic acid4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid4-Hydroxy-5-isopropyl-2-methylbenzoic acidSCHEMBL8945912SCHEMBL29382216Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- (9CI)AAA58444
Database identifiers
- CAS
584-44-1- PubChem CID
- 11440
- DTXSID
DTXSID20207110- EC Number
- 999-822-9
- Nikkaji
- J6.731H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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