Basic information
- CAS
199926-38-0- Standard SMILES
O.O=C(O)/C(O)=C(\O)C(=O)O- InChIKey
DDYHTXQJGPQZGN-TYYBGVCCSA-N- Molecular formula
- C4H6O7
- Average molar mass
- 166.09 g/mol
- Monoisotopic mass
- 166.01135253
Names & identifiers
- Preferred name
- Dihydroxyfumaric acid hydrate
- IUPAC
- (E)-2,3-dihydroxybut-2-enedioic acid;hydrate
- English name
- Dihydroxyfumaric acid hydrate, 98%
- Molecular formula
- C4H4O6
- Molecular weight
- 0
Names & synonyms
Dihydroxyfumaric acid hydrate199926-38-0DTXSID201036030RefChem:1083634DTXCID9015202562,3-Dihydroxyfumaric acid xhydrate(E)-2,3-Dihydroxybut-2-enedioic acid;hydrateMFCD00149286Dihydroxyfumaric acid (hydrate)C4H4O6.H2O7166AFDHF
Show more names
2,3-dihydroxyfuMaric acid hydrateDihydroxyfuMaric acid hydrate 98%Dihydroxyfumaric acid hydrate, 10 mM in DMSO(2E)-2,3-Dihydroxy-2-butenedioic Acid Hydrate (1:)Dihydroxyfumaric acid,Inhibitor,Endogenous Metabolite,Dihydroxyfumaric acid hydrate,inhibit
2,3-DihydroxyfumaricacidhydrateC4H6O7orb1221207orb1302440SCHEMBL2494050(2E)-2,3-Dihydroxy-2-butenedioic Acid Hydrate (1:?)DDYHTXQJGPQZGN-TYYBGVCCSA-NMSK170660W
Database identifiers
- CAS
199926-38-0- PubChem CID
- 71311348
- DTXSID
DTXSID201036030
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 156 °C · 156 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- form
- Solid
- color
- White to off-white
- BRN
- 1724790 · 1724790
- InChI
- 1S/C4H4O6.H2O/c5-1(3(7)8)2(6)4(9)10;/h5-6H,(H,7,8)(H,9,10);1H2/b2-1+;
- InChIKey
- DDYHTXQJGPQZGN-TYYBGVCCSA-N
- SMILES
- O.OC(=O)\C(O)=C(/O)C(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P337+P313-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P337+P313-P305+P351+P338
Chemistry & industry
Applications
Uses(2E)-2,3-Dihydroxy-2-butenedioic Acid Hydrate (1:), is an organic building block used for the synthesis of various chemicals. It is also shown to be to the product of oxidative degradation pathway in wine, and it can produce yellow pigments by reacting with (+)-catechin.
Suppliers24 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Syntechem Co.,Ltd[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]
United Life Science020-82099279 18988941402 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…