2-Methylglyceric acid

HCID 560781CAS 21620-60-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(O)(CO)C(=O)O
InChIKey
DGADNPLBVRLJGD-UHFFFAOYSA-N
Molecular formula
C4H8O4
Average molar mass
120.1 g/mol
Monoisotopic mass
120.04225874

Overview

2,3-dihydroxy-2-methylpropanoic acid is a dihydroxy monocarboxylic acid. It is functionally related to a propionic acid. It is a conjugate acid of a 2,3-dihydroxy-2-methylpropanoate.

Names & identifiers

Preferred name
2-Methylglyceric acid
IUPAC
2,3-dihydroxy-2-methylpropanoic acid
English name
2,3-dihydroxy-2-methyl-propanoic acid
Molecular formula
C4H8O4
Molecular weight
120.1

Names & synonyms

21620-60-02,3-dihydroxy-2-methylpropanoic acid2-methylglyceric acidCHEBI:36532DTXSID70865002RefChem:442409DTXCID40813459833-648-5Propanoic acid, 2,3- dihydroxy-2-methyl-2,3-DIHYDROXY-2-METHYL-PROPANOIC ACID2,3-dihydroxy-2-methylpropionic acidPropanoic acid, 2,3-dihydroxy-2-methyl-
Show more names
α-Methylglyceric Acid2-Methyl-2,3-dihydroxypropanoic acid
A,b-Dihydroxyisobutyric acid2-C-methylglyceric acidalpha-methylglyceric acida,b-dihydroxy-isobutyric acidMFCD192280932,3-dihydroxy-2-methyl-propionic acid2,3-dihydroxy-2-methylpropionate2,3-dihydroxyisobutyric acid

Database identifiers

CAS
21620-60-0
PubChem CID
560781
DTXSID
DTXSID70865002
ChEBI
CHEBI:36532
EC Number
833-648-5
Nikkaji
J235.964B

Properties

Computed structural properties

XLogP
-1.3
Topological polar surface area
77.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
8

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physical DescriptionSolid

Physicochemical properties

Melting point
104 °C · 104 °C
Boiling point
358.8 · 358.8±27.0 °C(Predicted)
Density
1.425 · 1.425±0.06 g/cm3(Predicted)
storage temp.
Hygroscopic, Refrigerator, under inert atmosphere
solubility
Methanol (Slightly, Sonicated), Water (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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

Signal word
Danger
Symbol(GHS)
GHS05,GHS07
Hazard statements
H315-H318-H335
Precautionary statements
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Applications

Usesα-Methylglyceric Acid is a biogenic secondary organic aerosol used in air quality diagnosis.

Suppliers18 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]

Additional notes

DefinitionChEBI: 2,3-dihydroxy-2-methylpropanoic acid is a dihydroxy monocarboxylic acid. It is functionally related to a propionic acid. It is a conjugate acid of a 2,3-dihydroxy-2-methylpropanoate.

Related reactions

2 records
New reaction record

Linked notes

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