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2,2-Bis(hydroxymethyl)butyric acid

2,2-Bis(hydroxymethyl)butyric acid structure

CAS No:
10097-02-6
Formula:
C6H12O4
Chemical Name:
2,2-Bis(hydroxymethyl)butyric acid
Synonyms:
2,2-BIS(HYDROXYMETHYL)BUTYRIC ACID;2,2-BIS(HYDROXYMETHYL)-N-BUTYRIC ACID;2,2-dimethylolbutanoic acid;2,2-Bis(hydroxymethy;Bis (hydroxyMethyl) butyric acid;2,2'-Bis(hydroxyMethyl)butyric acid(DMBA);DimethylolButanoicAcid(Dmba);DimethylolButanoicAcid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,2-Bis(hydroxymethyl)butyric acid Basic Attributes

Molecular Weight：

148.16

Exact Mass：

148.16

EC Number：

424-090-1

UNII：

42UJ0Z625V

TSCA：

TSCA listed

DSSTox ID：

DTXSID8064939

Color/Form：

White to Almost white

HScode：

29181990

Characteristics

PSA：

77.76000

XLogP3：

-0.9

Appearance：

white crystals

Density：

1.263±0.06 g/cm3(Predicted)

Melting Point：

109-112 °C (lit.)

Boiling Point：

360.0±32.0 °C(Predicted)

Flash Point：

185.7ºC

Refractive Index：

1.499

Water Solubility：

487g/L at 20℃

Vapor Pressure：

0Pa at 25℃

Flammability characteristics：

Non flammable

PKA：

4.16±0.15(Predicted)

Critical Temperature & Pressure：

Sealed in dry,Room Temperature

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-39-61

Marks：

Precautionary statement(s)：

P273-P280-P305 + P351 + P338

Hazard Statements：

41-52/53

GHS Classification：

|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P273, P280, P305+P351+P338, P310, and P501|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|Aggregated GHS information provided by 84 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,2-Bis(hydroxymethyl)butyric acid Use and Manufacturing

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.

Monomer for making water soluble polyurethanes and polyesters.

Manufacturing Info：

Butanoic acid, 2,2-bis(hydroxymethyl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:148.16
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:148.07355886
Monoisotopic Mass:148.07355886
Topological Polar Surface Area:77.8
Heavy Atom Count:10
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Formaldehyde

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Guide of 2,2-Bis(hydroxymethyl)butyric acid

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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2,2-Bis(hydroxymethyl)butyric acid

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