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Basic information
- CAS
98-27-1- Standard SMILES
Cc1cc(C(C)(C)C)ccc1O- InChIKey
SNKLPZOJLXDZCW-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 4-Tert-Butyl-2-Methylphenol
- IUPAC
- 4-tert-butyl-2-methylphenol
- English name
- 4-TERT-BUTYL-2-METHYLPHENOL
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
4-tert-Butyl-2-methylphenol98-27-1Phenol, 4-(1,1-dimethylethyl)-2-methyl-EINECS 202-651-8NSC 8477BRN 1817502DTXSID50591634-06-00-03398 (Beilstein Handbook Reference)RefChem:100505DTXCID8049046SNKLPZOJLXDZCW-UHFFFAOYSA-N4-(tert-Butyl)-2-methylphenol
Show more names
Phenol,4-(1,1-dimethylethyl)-2-methyl-NSC 983552-Methyl-4-t-butylphenol4-TERT-BUTYL ORTHO-CRESOL4-tert-butyl-2-methyl-pheno
4-tert-Butyl-o-cresol2-Methyl-4-tert-butylphenolp-tert-Butyl-o-cresolo-Cresol, 4-tert-butyl-4-tert-Butyl-2-methyl-phenolMFCD00020047Phenol, 4-tert-butyl-2-methyl-NCIOpen2_001766
Database identifiers
- CAS
98-27-1- PubChem CID
- 7379
- DTXSID
DTXSID5059163- ChEMBL
CHEMBL442536- UNII
- X43H4E9XT2
- EC Number
- 202-651-8
- Nikkaji
- J94.997C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Kovats Retention Index1333.6
Physicochemical properties
- Melting point
- 28 · 28-33 °C
- Boiling point
- 247 ℃ · 247℃
- Density
- 0.9404 g/cm3 · 0.9404 g/cm3 (20 ºC)
- refractive index
- 1.5147 · 1.5147 (589.3 nm 20℃)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 10.53 · 10.53±0.18(Predicted)
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1817502 · 1817502
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 4 · Phenol, 4-(1,1-dimethylethyl)-2-methyl- (98-27-1)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationChemical: Phenol, 4-(1,1-dimethylethyl)-2-methyl-
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Regulatory information
Regulatory InformationChemical: Phenol, 4-(1,1-dimethylethyl)-2-methyl-
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SK1578400
- ridadr
- UN 2430 8/PG 3
- hs_code
- 2907199090
- risk_code
- 34
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-(1,1-dimethylethyl)-2-methyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers54 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Aladdin Scientific[email protected]
Related reactions
6 records
Compound notes
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