Products Categories
| CAS No.: | 1575-57-1 |
|---|---|
| Name: | 2-oxobutyl acetate |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10O3 |
| Molecular Weight: | 130.144 |
| Synonyms: | 1-Hydroxy-2-butanoneacetate; |
| Density: | 1.015 g/cm3 |
| Boiling Point: | 171 °C at 760 mmHg |
| Flash Point: | 61.2 °C |
| PSA: | 43.37000 |
| LogP: | 0.52860 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- Total:13 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 1-Acetoxy-2-butanone, with the CAS registry number of 1575-57-1, is also known as 1-Hydroxy-2-butanoneacetate. This chemical's molecular formula is C6H10O3 and molecular weight is 130.14. What's more, both its systematic name and IUPAC name are the same which is called 2-Oxobutyl acetate.
Physical properties about the 1-Acetoxy-2-butanone are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.67; (6)ACD/BCF (pH 7.4): 2.67; (7)ACD/KOC (pH 5.5): 70.33; (8)ACD/KOC (pH 7.4): 70.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 31.65 cm3; (15)Molar Volume: 128.1 cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 1.015 g/cm3; (18)Flash Point: 61.2 °C; (19)Enthalpy of Vaporization: 40.74 kJ/mol; (20)Boiling Point: 171 °C at 760 mmHg; (21)Vapour Pressure: 1.43 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Butan-2-one with Dimethyldioxirane. The reaction needs solvent Acetone. The yield is about 73 %.
.png)
You can still convert the following datas into molecular structure:
(1) SMILES:O=C(CC)COC(=O)C
(2) InChI:InChI=1/C6H10O3/c1-3-6(8)4-9-5(2)7/h3-4H2,1-2H3
(3) InChIKey:LHGWJCBYBIICPP-UHFFFAOYAQ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01999, |