ChemicalBook--->CAS DataBase List--->10097-02-6

10097-02-6

10097-02-6 Structure

10097-02-6 Structure
IdentificationMore
[Name]

2,2-Bis(hydroxymethyl)butyric acid
[CAS]

10097-02-6
[Synonyms]

2,2-BIS(HYDROXYMETHYL)BUTANOIC ACID
2,2-BIS(HYDROXYMETHYL)BUTYRIC ACID
2,2-BIS(HYDROXYMETHYL)-N-BUTYRIC ACID
2,2-DIMETHYLOLBUTYRIC ACID
DimethylolButanoicAcid(Dmba)
DimethylolButanoicAcid
2,2-bis-(Hydroxymethyl)-n-buty
Butanoic acid, 2,2-bis(hydroxymethyl)-
Dimethylolbutansure
2,2-BIS(HYDROXYMETHYL)-N-BUTYRIC ACID 97+%
2,2-BIS(HYDROXYMETHYL)BUTYRIC ACID (DIMETHYLOL BUTANOIC ACID)
Dimethylolbutanoie Acid(DMBA)
[EINECS(EC#)]

424-091-0
[Molecular Formula]

C6H12O4
[MDL Number]

MFCD00190088
[Molecular Weight]

148.16
[MOL File]

10097-02-6.mol
Chemical PropertiesBack Directory
[Melting point ]

109-112 °C (lit.)
[Boiling point ]

360.0±32.0 °C(Predicted)
[density ]

1.263±0.06 g/cm3(Predicted)
[vapor pressure ]

0Pa at 25℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

acetone: 18 wt. % at 40 °C
[form ]

powder to crystal
[pka]

4.16±0.15(Predicted)
[color ]

White to Almost white
[Water Solubility ]

487g/L at 20℃
[InChI]

InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)
[InChIKey]

JVYDLYGCSIHCMR-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(CO)(CO)CC
[LogP]

-0.68 at 20℃
[CAS DataBase Reference]

10097-02-6(CAS DataBase Reference)
[EPA Substance Registry System]

10097-02-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318-H412
[Precautionary statements ]

P273-P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R41:Risk of serious damage to eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[WGK Germany ]

1
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29181990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 3
Eye Dam. 1
Hazard InformationBack Directory
[Uses]

2,2-bis(hydroxymethyl)butyric acid is a good crosslinking agent and hydrophilic agent, or used to produce water-based high molecule system, is widely used in water soluble PU system, polyester resin and epoxy ester. With good solubility, it also is widely used in coating of water soluble PU system, adhesive and leather coating agent.. It will become a new kind of environment-friendly substitute of 2,2-Bis(hydroxymethyl)propionic acid.
[Flammability and Explosibility]

Nonflammable
[Synthesis]

In a 1000 ml four-necked flask add 96 grams of paraformaldehyde, 96 grams of water, start stirring, temperature, at about 50 degrees dropwise addition of 80 grams of content of 5 % liquid alkali, control pH between 9-10 in 2 hours dropwise addition is co
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-Bis(hydroxymethyl)butyric acid(10097-02-6)MS
2,2-Bis(hydroxymethyl)butyric acid(10097-02-6)1HNMR
2,2-Bis(hydroxymethyl)butyric acid(10097-02-6)13CNMR
2,2-Bis(hydroxymethyl)butyric acid(10097-02-6)IR1
2,2-Bis(hydroxymethyl)butyric acid(10097-02-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

10097-02-6(sigmaaldrich)
[TCI AMERICA]

2,2-Bis(hydroxymethyl)butyric Acid,>97.0%(T)(10097-02-6)
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