Butanedioic acid, diphenyl ester
Basic information
- CAS
621-14-7- Standard SMILES
O=C(CCC(=O)Oc1ccccc1)Oc1ccccc1- InChIKey
YDPPRPIIZGLGCJ-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920893
Names & identifiers
- Preferred name
- Butanedioic acid, diphenyl ester
- IUPAC
- diphenyl butanedioate
- English name
- Diphenyl succinate
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
Diphenyl succinateButanedioic acid, diphenyl esterSuccinic acid, diphenyl ester7FQX7J39BMButanedioic acid, 1,4-diphenyl esterNSC-2623DTXSID40607311,4-DIPHENYL BUTANEDIOATERefChem:122064DTXCID4043226633-095-8YDPPRPIIZGLGCJ-UHFFFAOYSA-N
Show more names
PHENYL SUCCINATESuccinic acid diphenyl esterbutanedioicacid,diphenylester
diphenyl butanedioate621-14-7butanedioic acid diphenyl esterNSC 2623UNII-7FQX7J39BMSCHEMBL43742NSC2623AKOS004908152
Database identifiers
- CAS
621-14-7- PubChem CID
- 69300
- DTXSID
DTXSID4060731- UNII
- 7FQX7J39BM
- EC Number
- 633-095-8
- Nikkaji
- J136.490A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 121 °C · 121°C
- Boiling point
- 330 °C · 330°C (estimate)
- Density
- 1.2117 · 1.2117 (rough estimate)
- refractive index
- 1.5447 · 1.5447 (estimate)
- LogP
- 3.2 · 3.200 (est)
- FDA UNII
- 7 FQX7J39BM · 7FQX7J39BM
- EPA Substance Registry System
- Butanedioic acid, diphenyl ester (621-14-7)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501
- TSCA
- TSCA listed
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 Classification
Danger
H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesResp. Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 1,4-diphenyl ester: INACTIVE
Suppliers
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Compound notes
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