Basic information
- CAS
2451-84-5- Standard SMILES
O=C(CCCCC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
AEUORZZHALJMBM-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Names & identifiers
- Preferred name
- Dibenzyl adipate
- IUPAC
- dibenzyl hexanedioate
- English name
- ADIPIC ACID DIBENZYL ESTER
- Molecular formula
- C20H22O4
- Molecular weight
- 326.39
Names & synonyms
Dibenzyl adipate2451-84-5UNII-X8CKX63ROMX8CKX63ROMEINECS 219-516-4DTXSID5062427RefChem:132860DTXCID9037088219-516-4Dibenzyl hexanedioateAdipic Acid Dibenzyl EsterHexanedioic acid, 1,6-bis(phenylmethyl) ester
Show more names
Dibenzyl Adipate >Dibenzyl hexanedioateDibenzyladecyldisulphideAdipicaciddibenzylester95+%adipic acid bis(benzyl) esterbis(phenylmethyl) hexanedioateHexanedioic acid dibenzyl esterADIPIC ACID DIBENZYL ESTER, 95.0%(GC)
Hexanedioic acid, bis(phenylmethyl) esterMFCD00059667Hexanedioic acid,1,6-bis(phenylmethyl) esterDibenzylAdipate1,6-dibenzyl hexanedioateDibenzyl hexanedioate #SCHEMBL18673orb3176353
Database identifiers
- CAS
2451-84-5- PubChem CID
- 75561
- DTXSID
DTXSID5062427- UNII
- X8CKX63ROM
- EC Number
- 219-516-4
- Nikkaji
- J151.201C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 332
Experimental & physicochemical properties
Kovats Retention Index2616
Physicochemical properties
- Melting point
- 34 to · 34.0 to 37.0 °C
- Boiling point
- 202 · 202-208 °C(Press: 0.3 Torr)
- Density
- 1.0903 g/cm3 · 1.0903 g/cm3
- Flash point
- 36 °C · 36 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- InChI
- InChI=1S/C20H22O4/c21-19(23-15-17-9-3-1-4-10-17)13-7-8-14-20(22)24-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
- InChIKey
- AEUORZZHALJMBM-UHFFFAOYSA-N
- SMILES
- C(OCC1=CC=CC=C1)(=O)CCCCC(OCC1=CC=CC=C1)=O
- CAS DataBase Reference
- 2451 · 2451-84-5
- Indirect Additives used in Food Contact Substances
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 37 of 37 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 37 of 37 reports by companies.；There are 0 notifications provided by 0 of 37 reports by companies with hazard statement code(s).；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 Information
Chemical: Hexanedioic acid, bis(phenylmethyl) ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hexanedioic acid, bis(phenylmethyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory Information
Chemical: Hexanedioic acid, bis(phenylmethyl) ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hexanedioic acid, bis(phenylmethyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanedioic acid, 1,6-bis(phenylmethyl) ester: ACTIVE
Applications
UsesDibenzyl Adipate is used as a plasticiser.
Upstream & downstream products
Upstream raw materials
Suppliers47 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Related reactions
1 records
Compound notes
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