2-Methyl-6-(propan-2-yl)phenol
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Basic information
- CAS
3228-04-4- Standard SMILES
Cc1cccc(C(C)C)c1O- InChIKey
KFETUQFRWIVAMU-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2-Methyl-6-(propan-2-yl)phenol
- IUPAC
- 2-methyl-6-propan-2-ylphenol
- English name
- NISTC3228044
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2-methyl-6-(propan-2-yl)phenolRefChem:475781858-179-33228-04-42-ISOPROPYL-6-METHYLPHENOL2-methyl-6-propan-2-ylphenolNISTC3228044Phenol, 2-isopropyl-6-methyl-2-Isopropyl-6-methyl-phenolMFCD00869994m-Cymen-2-olPhenol, 2-methyl-6-(1-methylethyl)-
Show more names
0/4/282-Methyl-6-isopropylphenol
BRN 19337832-Methyl-6-(1-methylethyl)phenol6-Isopropyl-methylphenolSCHEMBL99348CHEMBL281075SCHEMBL1408580SCHEMBL1808716SCHEMBL10534421
Database identifiers
- CAS
3228-04-4- PubChem CID
- 18598
- DTXSID
DTXSID70186027- ChEMBL
CHEMBL281075- EC Number
- 858-179-3
- Nikkaji
- J37.617E
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -14.5 °C · -14.5°C
- Boiling point
- 225.5 °C · 225.5°C
- Density
- 0.9782 · 0.9782
- refractive index
- 1.5239 · 1.5239
- pka
- 10.83 · 10.83±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H318-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- RIDADR
- 1759 · 1759
- HazardClass
- 8 · 8
- PackingGroup
- III
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 2 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
- ridadr
- 1759
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H335-H318-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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