Basic information
- CAS
88-32-4- Standard SMILES
COc1ccc(O)cc1C(C)(C)C- InChIKey
IMOYOUMVYICGCA-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Overview
2-tert-butyl-4-hydroxyanisole is an aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the methoxy group is replaced by a tert-butyl group. It is a member of phenols and an aromatic ether.
Names & identifiers
- Preferred name
- 2-tert-Butyl-4-hydroxyanisole
- IUPAC
- 3-tert-butyl-4-methoxyphenol
- English name
- 2-tert-Butyl-4-hydroxyanisole
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
88-32-42-tert-Butyl-4-hydroxyanisole3-tert-Butyl-4-methoxyphenolPhenol, 3-(1,1-dimethylethyl)-4-methoxy-2-BHAPhenol, 3-tert-butyl-4-methoxy-A03IJ8ROOPDTXSID7058963CHEBI:76357RefChem:89406Butylated Hydroxyanisole IIDTXCID7048611
Show more names
TBMP4-Methoxy-33-tert-Bha-4-methoxy-4-Methoxy-3-teTBMP (Standard)TBMP, 10 mM in DMSOPhoratoxin B (reduced) 46
201-820-33-(tert-Butyl)-4-methoxyphenol4-Methoxy-3-tert-butylphenolMFCD000576673-tert-butyl-4-methoxy-phenol3-Butyl-4-hydroxyanisoleCCRIS 36062-tert-Butyl-4-hydroxy anisole
Database identifiers
- CAS
88-32-4- PubChem CID
- 6932
- DTXSID
DTXSID7058963- ChEBI
CHEBI:76357- UNII
- A03IJ8ROOP
Properties
Computed structural properties
- XLogP
- 3.2
- 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
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 64 ℃ · 64℃
- Boiling point
- 253.08 °C · 253.08°C (rough estimate)
- Density
- 0.9976 · 0.9976 (rough estimate)
- refractive index
- 1.4708 · 1.4708 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.58 · 10.58±0.18(Predicted)
- color
- Off-White to Pale Beige
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3
- InChIKey
- IMOYOUMVYICGCA-UHFFFAOYSA-N
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
This chemical does not meet GHS hazard criteria for 1.8% (1 of 57) of reports.
Warning
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 3-(1,1-dimethylethyl)-4-methoxy-
Phenol, 3-(1,1-dimethylethyl)-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Butylated hydroxyanisole and related antioxidants
Hazard Classes and CategoriesAcute Tox. 4 (98.2%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2909500000
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing InformationPhenol, 3-(1,1-dimethylethyl)-4-methoxy-: INACTIVE
Applications
UsesLabelled Phencyclidine analog as anticholinergic agent.
Uses2-tert-Butyl-4-hydroxyanisole shows insecticidal activity.
Suppliers95 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海策嵘生物科技有限公司[email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Related reactions
4 records
Compound notes
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