Basic information
- CAS
103-40-2- Standard SMILES
O=C(O)CCC(=O)OCc1ccccc1- InChIKey
UGUBQKZSNQWWEV-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 1-(Phenylmethyl) butanedioate
- IUPAC
- 4-oxo-4-phenylmethoxybutanoic acid
- English name
- SUCCINIC ACID MONOBENZYL ESTER
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
103-40-2R1X1431M4O1-(Phenylmethyl) butanedioateDTXSID20145609RefChem:819268DTXCID5068100Benzylsuccinate4-(benzyloxy)-4-oxobutanoic acidSuccinic acid monobenzyl estermonobenzyl succinate4-oxo-4-phenylmethoxybutanoic acidBenzyl hydrogen succinate
Show more names
BenzylinumBENZYL SUCCINATEBenzyl monosuccinateSuccinic acid 1-benzyl ester4-Benzyloxy-4-oxobutyric acid4-(benzyloxy)-4-keto-butyric acid4-oxo-4-(phenylmethoxy)butanoic acid
MFCD00447717UNII-R1X1431M4OBernsteinsaurebenzylesterBUTANEDIOIC ACID, 1-(PHENYLMETHYL) ESTERMono-O-benzylsuccinic acidSuccinic acid mono benzyl esterHMS1536A083-(benzyloxycarbonyl)propanoic acid
Database identifiers
- CAS
103-40-2- PubChem CID
- 8788
- DTXSID
DTXSID20145609- ChEMBL
CHEMBL317543- UNII
- R1X1431M4O
- EC Number
- 203-108-8
- Nikkaji
- J94.945K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
Physicochemical properties
- Melting point
- 60 °C · 60 °C
- Boiling point
- 368.5 · 368.5±25.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.42 · 4.42±0.17(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 1 X1431M4O · R1X1431M4O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummarySee Butanedioic acid, diethyl ester and Dibutyl succinate. See Succinic acid.
Safety data
- hs_code
- 2917399590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers75 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
38 records
Compound notes
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