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CAS No.: | 7397-62-8 |
---|---|
Name: | Butyl hydroxyacetate |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C6H12O3 |
Molecular Weight: | 132.159 |
Synonyms: | Aceticacid, hydroxy-, butyl ester (9CI);Glycolic acid, butyl ester (6CI,7CI,8CI);Butoxycarbonylmethanol;Butyl hydroxyacetate;Polysolvan O;n-Butyl glycolate; |
EINECS: | 230-991-7 |
Density: | 1.027 g/cm3 |
Melting Point: | -26ºC |
Boiling Point: | 183 °C at 760 mmHg |
Flash Point: | 71.7 °C |
Solubility: | 46g/L at 20℃ |
Appearance: | clear liquid |
Hazard Symbols: | Xn |
Risk Codes: | 63-41 |
Safety: | 23-24/25 |
PSA: | 46.53000 |
LogP: | 0.32200 |
Conditions | Yield |
---|---|
Stage #1: formaldehyd; carbon monoxide With 1,3,5-Trioxan; formic acid; sulfuric acid In 1,4-dioxane; dichloromethane at 120℃; under 67506.8 Torr; Stage #2: butan-1-ol In 1,4-dioxane; dichloromethane at 160℃; under 18001.8 Torr; for 40h; | 98.3% |
Conditions | Yield |
---|---|
With ion exchange at 120℃; pH=2; pH-value; Temperature; Reagent/catalyst; | 92% |
With toluene-4-sulfonic acid In cyclohexane for 5h; Reflux; | 85.1% |
With sulfuric acid; benzene bei langsamer Destillation; |
Conditions | Yield |
---|---|
stannous octoate In hexanoic acid at 135℃; |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In cyclohexane for 5h; Reflux; | A n/a B 85.1% |
Conditions | Yield |
---|---|
With sulfuric acid; water at 210 - 260℃; under 588406 - 661957 Torr; CO-Druck; |
Conditions | Yield |
---|---|
With triethylamine for 1h; Heating; Inert atmosphere; Ionic liquid; | 87% |
Conditions | Yield |
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With zeolite MFI-ATSn for 6h; Reagent/catalyst; Time; Sealed tube; Green chemistry; | 53% |
Conditions | Yield |
---|---|
unter Entfernen des entstehenden Wassers und Ammoniaks; |
butyl glycolate
1,5-difluoro-2,4-dinitrobenzene
butyl 2,4-dinitro-5-fluorophenoxyacetate
Conditions | Yield |
---|---|
With triethylamine In 1,2-dichloro-ethane at 0 - 5℃; for 2h; Large scale; | 89.9% |
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IUPAC Name: Butyl 2-hydroxyacetate
Following is the structure of Acetic acid,2-hydroxy-, butyl ester (CAS NO.7397-62-8):
Empirical Formula: C6H12O3
Molecular Weight: 132.1577
EINECS: 230-991-7
Index of Refraction: 1.429
Molar Refractivity: 33.15 cm3
Molar Volume: 128.5 cm3
Density: 1.027 g/cm3
Flash Point: 71.7 °C
Surface Tension: 34.8 dyne/cm
Enthalpy of Vaporization: 48.8 kJ/mol
Boiling Point: 183 °C at 760 mmHg
Appearance of Acetic acid,2-hydroxy-, butyl ester (CAS NO.7397-62-8): clear liquid
Vapour Pressure of Acetic acid,2-hydroxy-, butyl ester (CAS NO.7397-62-8): 0.227 mmHg at 25 °C
Canonical SMILES: CCCCOC(=O)CO
InChI: InChI=1S/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3
InChIKey: VFGRALUHHHDIQI-UHFFFAOYSA-N
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
Acetic acid,2-hydroxy-, butyl ester , its cas register number 7397-62-8. It also can be called Polysolvan 0 ; Butyl glycolate ; and Butyl hydroxyacetate .