Basic information
- CAS
470-29-1- Standard SMILES
CC(C)(CO)C(O)C(=O)O- InChIKey
OTOIIPJYVQJATP-UHFFFAOYSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.07355886
Overview
Pantoic acid is a dihydroxy monocarboxylic acid.
Names & identifiers
- Preferred name
- 2,4-Dihydroxy-3,3-dimethylbutanoic acid
- IUPAC
- 2,4-dihydroxy-3,3-dimethylbutanoic acid
- English name
- 2,4-Dihydroxy-3,3-dimethylbutanoic acid
- Molecular formula
- C6H12O4
- Molecular weight
- 148.16
Names & synonyms
2,4-dihydroxy-3,3-dimethylbutanoic acid470-29-1DTXSID70861968RefChem:1059746DTXCID30810811(S)-2,4-Dihydroxy-3,3-dimethylbutanoic aciddl-pantoic acid2,4-DIHYDROXY-3,3-DIMETHYLBUTANOICACIDSCHEMBL213981AKOS006378212SB47769FD158970
Show more names
pantoic acid(R)-pantoicaci(RS)-Pantoic AcidButanoic acid,2,4-dihydroxy-3,3-diMethyl-( RS )-Pantoic acid/(RS)-Pantoic Acid Sodium Salt Monohydrate
NS00040575EN300-296410L024109Q2396216
Database identifiers
- CAS
470-29-1- PubChem CID
- 848
- DTXSID
DTXSID70861968- ChEBI
CHEBI:14737- Nikkaji
- J23.325K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 368.7 · 368.7±27.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 3.73 · 3.73±0.27(Predicted)
- color
- White to Off-White
- FDA UNII
- 0 J1TL6G6J9 · 0J1TL6G6J9
Chemistry & industry
Applications
Uses4-Bromo-1-butene is a brominated alkene used as a reagent in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers17 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
湖北中科新辰科技有限公司欢迎详询 加微信 18827688560 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
武汉锦烁达新材料有限公司19292735370 19292735370 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
北京泰和景明医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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