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2-Butoxyethyl acetate

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Name

2-Butoxyethyl acetate

EINECS 203-933-3
CAS No. 112-07-2 Density 0.9385 g/cm3
Solubility Melting Point -63 °C
Formula C8H16O3 Boiling Point 192 °C at 760 mmHg
Molecular Weight 160.212 Flash Point 76.1 °C
Transport Information Appearance colourless to pale yellow liquid with a mild odour
Safety 24 Risk Codes 20/21
Molecular Structure Molecular Structure of 112-07-2 (Ethanol, 2-butoxy-,1-acetate) Hazard Symbols HarmfulXn
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;

 

2-Butoxyethyl acetate Consensus Reports

Reported in EPA TSCA Inventory. Glycol ethers are on the Community Right-To-Know List.

2-Butoxyethyl acetate Standards and Recommendations

ACGIH TLV: 20 ppm; Confirmed Animal Carcinogen
DFG MAK: 20 ppm (130 mg/m3)

2-Butoxyethyl acetate 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%.

2-Butoxyethyl acetate can be used to produce acetic acid-(2-butoxy-ethyl ester) at ambient temperature

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.

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