Basic information
- CAS
103-43-5- Standard SMILES
O=C(CCC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
ODBOBZHTGBGYCK-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050906
Overview
Dibenzylsuccinate is a benzyl ester.
Names & identifiers
- Preferred name
- Dibenzyl succinate
- IUPAC
- dibenzyl butanedioate
- English name
- DIBENZYL SUCCINATE
- Molecular formula
- C18H18O4
- Molecular weight
- 298.33
Names & synonyms
DIBENZYL SUCCINATE103-43-5dibenzyl butanedioateButanedioic acid, bis(phenylmethyl) esterSuccinic acid, dibenzyl esterCK14UG55AVNSC-4047EINECS 203-110-9AI3-02762DTXSID9074434NSC 4047BUTANEDIOIC ACID, 1,4-BIS(PHENYLMETHYL) ESTER
Show more names
BENZYL SUCCINATETIMTEC-BB SBB006245bis(phenylmethyl) butanedioatesuccinic acid bis(benzyl) esterSuccinic acid bis(phenylmethyl)butanedioic acid dibenzyl ester
RefChem:586448DTXCID2032760203-110-9InChI=1/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14HSpasmineSuccinic acid dibenzyl esterDibenzylsuccinate1,4-dibenzyl butanedioate
Database identifiers
- CAS
103-43-5- PubChem CID
- 7653
- DTXSID
DTXSID9074434- ChEBI
CHEBI:3058- UNII
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 42 · 42-43°C
- Boiling point
- 245 °C/15mm · 245°C/15mm
- Density
- 1.256 · 1.256
- refractive index
- 1.596 · 1.5960
- Flash point
- 245 °C/15mm · 245°C/15mm
- form
- solid
- Water Solubility
- Insoluble in water.
- BRN
- 1916056 · 1916056
- InChI
- 1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2
- InChIKey
- ODBOBZHTGBGYCK-UHFFFAOYSA-N
- SMILES
- O=C(CCC(OCC1=CC=CC=C1)=O)OCC2=CC=CC=C2
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butanedioic acid, bis(phenylmethyl) ester
Butanedioic acid, bis(phenylmethyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMedicine (antispasmodic).
UsesDibenzyl succinate is used as an organic chemical synthesis intermediate.
Upstream & downstream products
Downstream products
Suppliers30 total
武汉易泰科技有限公司上海分公司18930552037 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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