Basic information
- CAS
3621-79-2- Standard SMILES
C=C(CCC(=O)O)C(=O)O- InChIKey
CWNNYYIZGGDCHS-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225874
Overview
2-methylideneglutaric acid is a dicarboxylic acid comprising a glutaric acid core with a methylene group at the 2-position. It is a dicarboxylic fatty acid and a dicarboxylic acid. It is functionally related to a glutaric acid. It is a conjugate acid of a 2-methylideneglutarate(2-).
Names & identifiers
- Preferred name
- 2-Methyleneglutaric acid
- IUPAC
- 2-methylidenepentanedioic acid
- English name
- 2-METHYLENE-PENTANEDIOIC ACID
- Molecular formula
- C6H8O4
- Molecular weight
- 144.13
Names & synonyms
2-methyleneglutaric acid2-methylenepentanedioic acidNSC-213692MPA cpd2-MPA cpdRefChem:910092hydron;2-methylidenepentanedioate3621-79-22-methylidenepentanedioic acid2-methylideneglutaric acidalpha-Methylene glutaratePentanedioic acid, 2-methylene-
Show more names
RARECHEM AL BO 00872-methylidenepentanedioicaci
MFCD062080282-Methylene glutarateNZ83S5JR9DPentanedioic acid,2-methylene-2-METHYLENE-PENTANEDIOIC ACIDalpha-methyleneglutaric acidNSC 213691-BUTENE-2,4-DICARBOXYLIC ACID
Database identifiers
- CAS
3621-79-2- PubChem CID
- 95155
- DTXSID
DTXSID00189768- ChEBI
CHEBI:17207- UNII
- NZ83S5JR9D
- Nikkaji
- J38.893I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 387.3 · 387.3±25.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.11(Predicted)
- FDA UNII
- 83 S5JR9D · NZ83S5JR9D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2917198090 · 2917198090
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
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
泰州葛林美克医药科技有限公司15366892466 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
湖州澄博生物科技有限公司13626726938
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Pharmahands (Taizhou) Co., Ltd.+86 523-86200360
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Additional notes
Related reactions
11 records
Compound notes
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