Basic information
- CAS
1074-92-6- Standard SMILES
Cc1ccccc1C(C)(C)C- InChIKey
AXHVNJGQOJFMHT-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- o-tert-Butyltoluene
- IUPAC
- 1-tert-butyl-2-methylbenzene
- English name
- tert-Butyltoluene
- Molecular formula
- C11H16
- Molecular weight
- 148.25
Names & synonyms
2-tert-Butyltoluene1-tert-Butyl-2-methylbenzene1074-92-6o-tert-ButyltolueneBenzene, 1-(1,1-dimethylethyl)-2-methyl-Toluene, o-tert-butyl-EZ8LVG9BTU1-(1,1-dimethylethyl)-2-methylbenzeneNSC-23694DTXSID7075056O-METHYL-TERT-BUTYLBENZENE2-METHYL-TERT-BUTYLBENZENE
Show more names
(1,1-Dimethylethyl)methylbenzene
NSC 23694RefChem:855327DTXCID6033081677-962-91-(tert-Butyl)-2-methylbenzeneMFCD00059209Benzene, (1,1-dimethylethyl)methyl-1-Methyl-2-tert-butylbenzene
Database identifiers
- CAS
1074-92-6、27138-21-2- PubChem CID
- 33712
- DTXSID
DTXSID7075056- UNII
- EZ8LVG9BTU
- EC Number
- 677-962-9
- Nikkaji
- J91.299I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- EPA Substance Registry System
- tert-Butyltoluene (27138-21-2)
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
H225 (54.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (54.5%)
Chemistry & industry
Suppliers34 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
2 records
Compound notes
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