Basic information
- CAS
6628-68-8- Standard SMILES
CCOC(=O)C(CCc1ccccc1)C(=O)OCC- InChIKey
LMFLGETWXFOVMQ-UHFFFAOYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-(2-phenylethyl)propanedioate
- IUPAC
- diethyl 2-(2-phenylethyl)propanedioate
- English name
- DIETHYL 2-(PHENYLETHYL)MALONOATE
- Molecular formula
- C15H20O4
- Molecular weight
- 264.32
Names & synonyms
6628-68-8Diethyl 2-phenylethylmalonatePropanedioic acid, (2-phenylethyl)-, diethyl esterB2PBR87FLJNSC-60931DTXSID002164821,3-diethyl 2-(2-phenylethyl)propanedioateRefChem:1052826DTXCID00138973229-610-7Diethyl 2-phenethylmalonatediethyl (2-phenylethyl)malonate
Show more names
NSC60931Ai3-02939Ethyl 2-Phenylethylmalonatephenethylmalonicaciddiethylester
diethyl 2-(phenylethyl)malonoatediethyl 2-(2-phenylethyl)malonoatediethyl 2-(2-phenylethyl)propanedioateDiethyl 2-(2-phenylethyl)malonateMFCD00026887diethyl phenethylmalonate2-phenethyl-malonic acid diethyl esterEINECS 229-610-7
Database identifiers
- CAS
6628-68-8- PubChem CID
- 81119
- DTXSID
DTXSID00216482- UNII
- B2PBR87FLJ
- EC Number
- 229-610-7
- Nikkaji
- J144.613D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 112 · 112-114°C 0,2mm
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.46(Predicted)
- form
- liquid
- color
- Yellow
- CAS DataBase Reference
- 6628 · 6628-68-8(CAS DataBase Reference)
- FDA UNII
- 2 PBR87FLJ · B2PBR87FLJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2917399590 · 2917399590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2917399590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers36 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
Related reactions
22 records
Compound notes
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