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Basic information
- CAS
10097-02-6- Standard SMILES
CCC(CO)(CO)C(=O)O- InChIKey
JVYDLYGCSIHCMR-UHFFFAOYSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.158 g/mol
- Monoisotopic mass
- 148.07355886
Names & identifiers
- Preferred name
- Butanoic acid, 2,2-bis(hydroxymethyl)-
- IUPAC
- 2,2-Bis(hydroxymethyl)butanoic acid
- English name
- 2,2-Bis(hydroxymethyl)butyric acid
- Molecular formula
- C6H12O4
- Molecular weight
- 148.16
Names & synonyms
2,2-BIS(HYDROXYMETHYL)BUTANOIC ACID2,2-DIMETHYLOLBUTYRIC ACID2,2-dimethylolbutanoic acidDimethylolbutansure2,2-Bis(hydroxymethyDimethylolButanoicAcidDimethylolButanoicAcid(Dmba)Dimethylolbutanoie Acid(DMBA)2,2-bis-(Hydroxymethyl)-n-buty2,2-Dimethylolbutyric acid、DMBA
Database identifiers
- CAS
10097-02-6- PubChem CID
- 3301396
- DTXSID
DTXSID8064939- UNII
- 42UJ0Z625V
- EC Number
- 424-090-1、600-143-4
- Nikkaji
- J1.110.279D
Properties
Physicochemical properties
- Melting point
- 109 · 109-112 °C (lit.)
- Boiling point
- 360 · 360.0±32.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 18 wt · acetone: 18 wt. % at 40 °C
- pka
- 4.16 · 4.16±0.15(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- 487 g/L · 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 · -0.68 at 20℃
- CAS DataBase Reference
- 10097 · 10097-02-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 42 UJ0Z625V · 42UJ0Z625V
- EPA Substance Registry System
- 2 · Butanoic acid, 2,2-bis(hydroxymethyl)- (10097-02-6)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H412
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29181990
- risk_code
- 41-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-39-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318-H412
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1
- Precautionary statements
- P273-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,2-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.
UsesMonomer for making water soluble polyurethanes and polyesters.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
1 records
Compound notes
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