3-Hydroxy-2,2-dimethylpropionic acid

HCID 78548
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Basic information

CAS
4835-90-9
Standard SMILES
CC(C)(CO)C(=O)O
InChIKey
RDFQSFOGKVZWKF-UHFFFAOYSA-N
Molecular formula
C5H10O3
Average molar mass
118.13 g/mol
Monoisotopic mass
118.06299418

Overview

Hydroxypivalic acid has been reported in Nicotiana tabacum with data available.

Names & identifiers

Preferred name
3-Hydroxy-2,2-dimethylpropionic acid
IUPAC
3-hydroxy-2,2-dimethylpropanoic acid
English name
3-Hydroxypivalic acid
Molecular formula
C5H10O3
Molecular weight
118.13

Names & synonyms

4835-90-93-Hydroxy-2,2-dimethylpropanoic acidHydroxypivalic acid3-Hydroxy-2,2-dimethylpropionic acidPropanoic acid, 3-hydroxy-2,2-dimethyl-UNII-BJP2CXK56PBJP2CXK56PEINECS 225-419-82,2-dimethyl-3-hydroxypropanoic acidHYDROXY PIVALIC ACIDNSC 115936NSC-115936
Show more names
2,2-DIMETHYL-3-HYDROXYPROPIONIC ACIDTHYODIGLYCOLBETA-THIODIGLYCOL3-HydroxypivalicaciTHIODIETHYLENE GLYCOL3-Hydroxypivalic acidHydroxypivalicAcid>2,2'-THIO-BIS[ETHANOL]
DTXSID40636162,2-DIMETHYLHYDRACRYLIC ACIDHYDRACRYLIC ACID, 2,2-DIMETHYL-.ALPHA.,.ALPHA.-DIMETHYL-.BETA.-HYDROXYPROPIONIC ACIDRefChem:94092DTXCID1040617ALPHA,ALPHA-DIMETHYL-BETA-HYDROXYPROPIONIC ACID225-419-8

Database identifiers

CAS
4835-90-9
PubChem CID
78548
DTXSID
DTXSID4063616
UNII
BJP2CXK56P
EC Number
225-419-8
Nikkaji
J39.928K

Properties

Computed structural properties

XLogP
0
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
8

Physicochemical properties

Melting point
16 °C · −16 °C(lit.)
Boiling point
164 · 164-166 °C20 mm Hg(lit.)
Density
1.221 g/mL · 1.221 g/mL at 25 °C(lit.)
vapor pressure
0.446 Pa · 0.446Pa at 25℃
refractive index
20 · n20/D 1.5215(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (40.4%): 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 183 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 31-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22481

Propanoic acid, 3-hydroxy-2,2-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (40.4%)

Safety data

F
3-13-23
wgk
1
tsca
TSCA listed
rtecs
KM2975000
hs_code
2918.19.9000
risk_code
36-41-37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoic acid, 3-hydroxy-2,2-dimethyl-: ACTIVE

Applications

Uses3-Hydroxy-2,2-dimethylpropionic acid is used as pharmaceutical intermediate.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

69 records
New reaction record

Compound notes

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