Basic information
- CAS
37987-27-2- Standard SMILES
COc1cc(C(C)(C)C)ccc1O- InChIKey
SERZNTMEVJWJSA-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 4-Tert-butyl-2-methoxyphenol
- IUPAC
- 4-tert-butyl-2-methoxyphenol
- English name
- Phenol, 4-(1,1-dimethylethyl)-2-methoxy-
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
4-tert-butyl-2-methoxyphenol37987-27-24-(tert-butyl)-2-methoxyphenolPhenol, (1,1-dimethylethyl)-2-methoxy-53894-31-8Phenol, 4-(1,1-dimethylethyl)-2-methoxy-5-t-butyl-2-hydroxyanisole4-tert-butyl-2-methoxy-phenolSCHEMBL5613937DTXSID80202161SERZNTMEVJWJSA-UHFFFAOYSA-NMBA98727
Show more names
MFCD00233130SY316230CS-0260225EN300-7470444Z1255435164
Database identifiers
- CAS
37987-27-2、53894-31-8- PubChem CID
- 40919
- DTXSID
DTXSID80202161- EC Number
- 845-329-8
- Nikkaji
- J175.234K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 253 °C · 253 °C
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- pka
- 10.19 · 10.19±0.18(Predicted)
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
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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