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| CAS No.: | 112-07-2 |
|---|---|
| Name: | 2-Butoxyethyl acetate |
| Molecular Structure: | |
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|
|
| Formula: | C8H16O3 |
| Molecular Weight: | 160.213 |
| Synonyms: | Ethanol,2-butoxy-, acetate (6CI,7CI,8CI,9CI);Butoxyethylacetate;Butyl cellosolve acetate;Butyl glycol acetate;Dowanol EB acetate;EBAcetate;Ethylene glycol butyl ether acetate;Ethylene glycol monobutyl etheracetate;Glycol monobutyl ether acetate; |
| EINECS: | 203-933-3 |
| Density: | 0.9385 g/cm3 |
| Melting Point: | -63 °C |
| Boiling Point: | 192 °C at 760 mmHg |
| Flash Point: | 76.1 °C |
| Solubility: | Miscible with hydrocarbons and organic solvents. Slightly miscible with water. |
| Appearance: | colourless to pale yellow liquid with a mild odour |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21 |
| Safety: | 24 |
| PSA: | 35.53000 |
| LogP: | 1.36620 |
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Consensus Reports
Reported in EPA TSCA Inventory. Glycol ethers are on the Community Right-To-Know List.
Standards and Recommendations
ACGIH TLV: 20 ppm; Confirmed Animal Carcinogen
DFG MAK: 20 ppm (130 mg/m3)
Specification
The 2-Butoxyethyl acetate, with the CAS registry number 112-07-2, is also known as Ethanol, 2-butoxy-, acetate. Its EINECS registry number is 203-933-3. This chemical's molecular formula is C8H16O3 and molecular weight is 160.21084. Its IUPAC name is called 2-butoxyethyl acetate. This chemical's classification code is Skin / Eye Irritant. What's more, this chemical is colourless to pale yellow liquid with a mild odour which can be used as solvent.
Physical properties of 2-Butoxyethyl acetate: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 1.51; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 8.3; (5)ACD/BCF (pH 7.4): 8.3; (6)ACD/KOC (pH 5.5): 158.28; (7)ACD/KOC (pH 7.4): 158.28; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.414; (11)Molar Refractivity: 42.63 cm3; (12)Molar Volume: 170.4 cm3; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 0.94 g/cm3; (15)Flash Point: 76.1 °C; (16)Enthalpy of Vaporization: 42.82 kJ/mol; (17)Boiling Point: 192 °C at 760 mmHg; (18)Vapour Pressure: 0.5 mmHg at 25°C.
Uses of 2-Butoxyethyl acetate: it can be used to produce acetic acid-(2-butoxy-ethyl ester) at ambient temperature. This reaction will need reagent Cp*2Sm(thf)2 and solvent toluene with reaction time of 3 hours. The yield is about 99%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation and in contact with skin. In addition, you must avoid contact with skin.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOCCOC(=O)C
(2)InChI: InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
(3)InChIKey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | skin | 5mL/kg (5mL/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
| mouse | LD50 | oral | 3200mg/kg (3200mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
| rabbit | LD50 | skin | 1500mg/kg (1500mg/kg) | KIDNEY, URETER, AND BLADDER: HEMATURIA KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION BLOOD: NORMOCYTIC ANEMIA | Toxicology and Applied Pharmacology. Vol. 51, Pg. 117, 1979. |
| rat | LD50 | oral | 2400mg/kg (2400mg/kg) | KIDNEY, URETER, AND BLADDER: HEMATURIA KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | Toxicology and Applied Pharmacology. Vol. 51, Pg. 117, 1979. |