Basic information
- CAS
17872-55-8- Standard SMILES
COC(=O)C(C)(CO)CO- InChIKey
RQEPEDPOJQCJJT-UHFFFAOYSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.07355886
Names & identifiers
- Preferred name
- Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester
- IUPAC
- methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
- English name
- methyl 2,2-bis(hydroxymethyl)propionate
- Molecular formula
- C6H12O4
- Molecular weight
- 148.16
Names & synonyms
Methyl 2,2-bis(hydroxymethyl)propionateMethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate5S3GU3B2UKPropanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl esterEINECS 241-824-2DTXSID70662733-HYDROXY-2-HYDROXYMETHYL-2-METHYLPROPIONIC ACID METHYL ESTERRefChem:176370DTXCID3035680241-824-217872-55-8Propionic acid, 2,2-bis(hydroxymethyl)-, methyl ester
Show more names
2,2-Bis(hydroxymethyl)propionic acid methyl ester2,2-Bis(hydroxymethyl)propanoic acid methyl esterMETHYL 3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE(WXG03367)
UNII-5S3GU3B2UKSCHEMBL769720Methyl 2,2-(hydroxymethyl)propionateAKOS006271759DB-109316NS0002588610.14272/RQEPEDPOJQCJJT-UHFFFAOYSA-NG32270
Database identifiers
- CAS
17872-55-8- PubChem CID
- 87346
- DTXSID
DTXSID7066273
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- FDA UNII
- 5 S3GU3B2UK · 5S3GU3B2UK
- EPA Substance Registry System
- 3 · Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester (17872-55-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester: INACTIVE
Suppliers4 total
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
湖州浦瑞生物医药技术有限公司+86-0572-2745768 +86-13816075732 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
14 records
Compound notes
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