Basic information
- CAS
18241-31-1- Standard SMILES
Cc1ccc(COC(=O)C(=O)OCc2ccc(C)cc2)cc1- InChIKey
FPFZBTUMXCSRLU-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Overview
See also: Oxalic acid, bis(p-methylbenzyl) ester (annotation moved to).
Names & identifiers
- Preferred name
- Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester
- IUPAC
- bis[(4-methylphenyl)methyl] oxalate
- English name
- bis[(4-methylphenyl)methyl] oxalate
- Molecular formula
- C18H18O4
- Molecular weight
- 298.33
Names & synonyms
Bis(4-methylbenzyl) oxalateEthanedioic acid, 1,2-bis[(4-methylphenyl)methyl] esterEthanedioic acid, bis[(4-methylphenyl)methyl] esterEthanedioic acid, bis((4-methylphenyl)methyl) esterEthanedioic acid, 1,2-bis((4-methylphenyl)methyl) esterRefChem:591696406-470-718241-31-1bis[(4-methylphenyl)methyl] oxalateBis(p-methylbenzyl)oxalateMFCD00266809di(p-methylbenzyl)oxalat
Show more names
HS 3520HS 3520R-NF-206(HS-3520)Di-p-methylbenzyl oxalateDi(4-methylbenzyl) oxalatep-Methylbenzyl alcohol oxalateOxalic acid di(p-methylbenzyl) ester
bis(p-tolylmethyl) oxalateSCHEMBL26555DTXSID8066343FPFZBTUMXCSRLU-UHFFFAOYSA-NAKOS016845834Bis[(4-methylphenyl)methyl] ethanedioateAC-24991AS-70023
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 418.7 · 418.7±34.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C18H18O4/c1-13-3-7-15(8-4-13)11-21-17(19)18(20)22-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
- InChIKey
- FPFZBTUMXCSRLU-UHFFFAOYSA-N
- SMILES
- C(OCC1=CC=C(C)C=C1)(=O)C(OCC1=CC=C(C)C=C1)=O
- EPA Substance Registry System
- Ethanedioic acid, bis[(4-methylphenyl)methyl] ester (18241-31-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 ClassificationNot Classified
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Bis(4-methylbenzyl) oxalate (EC: 406-470-7)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester: ACTIVE
Suppliers66 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
青岛和兴精细化学有限公司0532-66915948 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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