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Cas Database |
| Name |
2,2-Bis(hydroxymethyl)butyric acid |
EINECS | 424-090-1 |
| CAS No. | 10097-02-6 | Density | 1.263 g/cm3 |
| PSA | 77.76000 | LogP | -0.54800 |
| Solubility | acetone: 18 wt. % at 40 °C | Melting Point |
109-112 °C(lit.) |
| Formula | C6H12O4 | Boiling Point | 360 °C at 760 mmHg |
| Molecular Weight | 148.159 | Flash Point | 185.7 °C |
| Transport Information | N/A | Appearance | white crystals |
| Safety | 26-39-61 | Risk Codes | 41-52/53 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
a,a-Dimethylolbutanoic acid;Butyricacid, 2,2-bis(hydroxymethyl)- (7CI,8CI);2,2-Bis(hydroxymethyl)butanoic acid;2,2-Dimethylolbutanoic acid;2,2-Dimethylolbutyric acid;Nikkamer BA; |
Article Data | 9 |
2,2-Bis(hydroxymethyl)butyric acid Synthetic route
- 10097-02-6
2,2-bis(hydroxymethyl)butanoic acid
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In ethanol; water at 80℃; for 24h; | 93.1% |
- 41966-25-0
2,2-dimethylolbutanal
- 10097-02-6
2,2-bis(hydroxymethyl)butanoic acid
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide at 50 - 70℃; for 2h; Temperature; | 81.6% |
| With dihydrogen peroxide | |
| With dihydrogen peroxide |
| Conditions | Yield |
|---|---|
| at 150℃; for 70h; |
- 22251-63-4
2-phenyl-5-hydroxymethyl-5-ethyl-1,3-dioxacyclohexane
- 10097-02-6
2,2-bis(hydroxymethyl)butanoic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate |
2,2-Bis(hydroxymethyl)butyric acid Chemical Properties
IUPAC Name: 2,2-bis(Hydroxymethyl)butanoic acid
Following is the structure of Butanoic acid,2,2-bis(hydroxymethyl)- (CAS NO.10097-02-6):
Empirical Formula: C6H12O4
Molecular Weight: 148.1571
EINECS: 424-090-1
Index of Refraction: 1.499
Molar Refractivity: 34.44 cm3
Molar Volume: 117.2 cm3
Density: 1.263 g/cm3
Flash Point: 185.7 °C
Melting point: 109-112 °C
Surface Tension: 56.3 dyne/cm
Melting point: 109-112 °C(lit.)
Solubility acetone: 18 wt. % at 40 °C
Enthalpy of Vaporization: 70.11 kJ/mol
Boiling Point: 360 °C at 760 mmHg
Vapour Pressure of Butanoic acid,2,2-bis(hydroxymethyl)- (CAS NO.10097-02-6): 1.24E-06 mmHg at 25 °C
Product Categories of Butanoic acid,2,2-bis(hydroxymethyl)- (CAS NO.10097-02-6): Organic acids; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Alcohols; Monomers; Polymer Science
Canonical SMILES: CCC(CO)(CO)C(=O)O
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
2,2-Bis(hydroxymethyl)butyric acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 41-52/53
R41:Risk of serious damage to the eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-39-61
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 sheets.
WGK Germany: 1
Hazard Note: Irritant
2,2-Bis(hydroxymethyl)butyric acid Specification
Butanoic acid,2,2-bis(hydroxymethyl)- , its cas register number 10097-02-6. It also can be called 2,2-Bis(hydroxymethyl)butyric acid . Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
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