Basic information
- CAS
28313-42-0- Standard SMILES
CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
JAIQCFIFVNAAAY-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- Di-t-butyl terephthalate
- IUPAC
- ditert-butyl benzene-1,4-dicarboxylate
- English name
- 1,4-Benzenedicarboxylicacid, 1,4-bis(1,1-dimethylethyl) ester
- Molecular formula
- C16H22O4
- Molecular weight
- 278.34
Names & synonyms
28313-42-0Di-t-butyl terephthalateDTXSID10311432RefChem:336885DTXCID30262558Di-tert-butyl terephthalateditert-butyl benzene-1,4-dicarboxylate1,4-Benzenedicarboxylic acid, bis(1,1-dimethylethyl) esterMFCD22417253NSC243185terephthalic acid di-tert-butyl esterdi-t-butylterephthalate
Show more names
Di-tert-butyl-1,4-benezene dicarboxylate1,4-Bis(1,1-dimethylethyl) 1,4-benzenedicarboxylate1,4-Benzenedicarboxylicacid, 1,4-bis(1,1-dimethylethyl) ester
Di-tert-butylterephthalateSCHEMBL109451SCHEMBL3066721JAIQCFIFVNAAAY-UHFFFAOYSA-N1,4-di(tert-butyl) terephthalateNSC-243185Di-tert-butyl benzene-1,4-dicarboxylateBS-50448
Database identifiers
- CAS
28313-42-0- PubChem CID
- 316007
- DTXSID
DTXSID10311432- Nikkaji
- J815.241A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 119.5 · 119.5-120 °C
- Boiling point
- 175 °C · 175 °C(Press: 0.5 Torr)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
Related reactions
6 records
Compound notes
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