Basic information
- CAS
692-29-5- Standard SMILES
O=CCCC(=O)O- InChIKey
UIUJIQZEACWQSV-UHFFFAOYSA-N- Molecular formula
- C4H6O3
- Average molar mass
- 102.09 g/mol
- Monoisotopic mass
- 102.03169405
Overview
Succinic semialdehyde is an aldehydic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a 4-oxobutanoate.
Names & identifiers
- Preferred name
- 4-Oxobutanoic acid
- IUPAC
- 4-oxobutanoic acid
- English name
- SUCCINALDEHYDIC ACID
- Molecular formula
- C4H6O3
- Molecular weight
- 102.09
Names & synonyms
Succinic semialdehyde4-Oxobutanoic acid692-29-5Succinic acid semialdehydebeta-Formylpropionic acidgamma-Oxybutyric acid3-Formylpropanoic acid3-Formylpropionic acid4-oxo-butanoic acidsuccinate semialdehydeM73BX3CPMUDTXSID00219231
Show more names
4-oxo-butanoicacibutryaldehydicacidgamma-oxybutyricacid3-formylpropionicacid3-formylpropanoicacid
CHEBI:16265RefChem:186337DTXCID20141722627-360-7Succinaldehydic acidButryaldehydic acidButanoic acid, 4-oxo-4-Oxobutyric acid
Database identifiers
- CAS
692-29-5- PubChem CID
- 1112
- DTXSID
DTXSID00219231- ChEMBL
CHEMBL1615238- ChEBI
CHEBI:16265- UNII
- M73BX3CPMU
- EC Number
- 627-360-7
- Nikkaji
- J61.361D
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 77
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Sodium oxybate
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 202 · 202-203 °C(Solv: methanol (67-56-1))
- Boiling point
- 142 · 142-143 °C(Press: 13 Torr)
- Density
- 1.09 g/mL · 1.09 g/mL at 25 °C
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 4.69 · 4.69±0.17(Predicted)
- form
- Solid
- color
- White to Off-White
- Henry's Law Constant
- 8.3 · 8.3×103 mol/(m3Pa) at 25℃, Wang et al. (2017)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 73 BX3CPMU · M73BX3CPMU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38
- Safety Statements
- 26 · 26
- WGK Germany
- -
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- -
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Tissue LocationsTestis
Cellular LocationsCytoplasm
Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)
Applications
Usesβ-Formylpropionic Acid is used in the synthesis of potent and orally available nonpeptide antagonist of human gonadotropin-releasing hormone receptor. It is also a reagent in the synthesis of human melanocortin-4 receptor antagonists with a pyrrolidinone moiety.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers34 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
合肥启明医药科技有限公司15105695099
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: Succinic semialdehyde is an aldehydic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a 4-oxobutanoate.
Related reactions
66 records
Compound notes
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