Basic information
- CAS
93748-14-2- Standard SMILES
CC(C)(C)c1ccc(C(C)(C)C(=O)O)cc1- InChIKey
OHAKGGAAZZPXLJ-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2-(4-Tert-butylphenyl)-2-methylpropanoic acid
- IUPAC
- 2-(4-tert-butylphenyl)-2-methylpropanoic acid
- English name
- 2-(4-tert-Butyl-phenyl)-2-Methyl-propionic acid
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31
Names & synonyms
93748-14-22-(4-tert-butylphenyl)-2-methylpropanoic acidDTXSID30429109RefChem:252832DTXCID80379943853-688-72-(4-(tert-Butyl)phenyl)-2-methylpropanoic acidBenzeneacetic acid, 4-(1,1-dimethylethyl)-a,a-dimethyl-2-[4-(tert-butyl)phenyl]-2-methylpropanoic acidAG-205/01903059SCHEMBL46649014-tert-butylphenylisobutyric acid
Show more names
2-(4-tert-Butyl-phenyl)-2-Methyl-propionic acidBenzeneacetic acid, 4-(1,1-dimethylethyl)-α,α-dimethyl-
OHAKGGAAZZPXLJ-UHFFFAOYSA-NTDA74814MFCD09260840SBB096002AKOS010213747BS-33247DB-364100EN300-114874
Database identifiers
- CAS
93748-14-2- PubChem CID
- 8167192
- DTXSID
DTXSID30429109- EC Number
- 853-688-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 323.5 · 323.5±11.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.5 · 4.50±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+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
- H319-H315-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers6 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
唐山金元生物技术有限公司15222523250 · [email protected]
Related reactions
2 records
Compound notes
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