Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl-
Basic information
- CAS
4237-73-4- Standard SMILES
CC(C)(O)CCc1ccc(O)cc1- InChIKey
BGHHDJUQYBAXSB-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl-
- IUPAC
- 4-(3-hydroxy-3-methylbutyl)phenol
- English name
- Benzenepropanol, 4-hydroxy-.alpha.,.alpha.-dimethyl-
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24354
Names & synonyms
4237-73-4Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl-DTXSID30195175RefChem:1078620DTXCID401176664-(3-hydroxy-3-methylbutyl)phenolBenzenepropanol, 4-hydroxy-.alpha.,.alpha.-dimethyl-Phenol, p-(3-hydroxy-3-methylbutyl)-NSC577072-Butanol, 4-(p-hydroxyphenyl)-2-methyl-SCHEMBL7253631BGHHDJUQYBAXSB-UHFFFAOYSA-N
Show more names
4-(3-HYDROXYISOAMYL)PHENOL
NSC 57707NSC-577074-(3-hydroxy-3-methyl-butyl)phenolAKOS024323033Phenol, p-(3-hydroxy-3-methyl-butyl)-DB-1059364-hydroxy-alpha,alpha-dimethylbenzenepropanolCS-0254029
Database identifiers
- CAS
4237-73-4- PubChem CID
- 138161
- DTXSID
DTXSID30195175- EC Number
- 636-980-7
- Nikkaji
- J2.354.435K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Related reactions
3 records
Compound notes
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