Basic information
- CAS
68155-50-0- Standard SMILES
CC(C)c1ccc(O)cc1C(C)C- InChIKey
VTJCIWXYZXSECW-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Phenol, 3,4-bis(1-methylethyl)-
- IUPAC
- 3,4-di(propan-2-yl)phenol
- English name
- 3,4-bisisopropylphenol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
3,4-Diisopropylphenol68155-50-0Phenol, 3,4-bis(1-methylethyl)-EINECS 268-964-7DTXSID8071190RefChem:860878DTXCID50456253,4-di(propan-2-yl)phenol3,4-Bisisopropylphenol3,4-BIS(PROPAN-2-YL)PHENOLYC2A7HUL4T3,4-Bis(1-methylethyl)phenol
Show more names
SCHEMBL3957742SCHEMBL30763516VTJCIWXYZXSECW-UHFFFAOYSA-NMB22559NS00036453
Database identifiers
- CAS
68155-50-0- PubChem CID
- 109652
- DTXSID
DTXSID8071190- UNII
- YC2A7HUL4T
- EC Number
- 268-964-7
- Nikkaji
- J185.754A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 3 · Phenol, 3,4-bis(1-methylethyl)- (68155-50-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 3,4-bis(1-methylethyl)-: ACTIVE
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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