Butanoic acid,2-(hydroxyimino)-3-oxo-, phenylmethyl ester
- Iupac Name：benzyl (2E)-2-hydroxyimino-3-oxobutanoate
- CAS No.: 27331-98-2
- Molecular Weight：221.20934
- Modify Date.: 2023-03-06 23:49
1. Names and Identifiers
- 1.1 Name
- Butanoic acid,2-(hydroxyimino)-3-oxo-, phenylmethyl ester
- 1.2 Synonyms
2-(Hydroxyimino)acetoacetate Benzyl (2E)-2-(hydroxyimino)-3-oxobutanoate Butanoic acid, 2-(hydroxyimino)-3-oxo-, phenylmethyl ester, (2E)- Butyricacid, 2,3-dioxo-, benzyl ester, 2-oxime (6CI,8CI) NSC 90981
- 1.3 CAS No.
- 27331-98-2
- 1.4 CID
- 9552106
- 1.5 Molecular Formula
- C11H11NO4 (isomer)
- 1.6 Inchi
- InChI=1S/C11H11NO4/c1-8(13)10(12-15)11(14)16-7-9-5-3-2-4-6-9/h2-6,15H,7H2,1H3/b12-10+
- 1.7 InChIkey
- NUEOCDPXZSQJMD-ZRDIBKRKSA-N
- 1.8 Canonical Smiles
- CC(=O)C(=NO)C(=O)OCC1=CC=CC=C1
- 1.9 Isomers Smiles
- CC(=O)/C(=N\O)/C(=O)OCC1=CC=CC=C1
2. Properties
- 2.1 Density
- 1.206
- 2.1 Boiling point
- 381.709°C at 760 mmHg
- 2.1 Refractive index
- 1.54
- 2.1 Flash Point
- 184.651°C
- 2.1 Precise Quality
- 221.06900
- 2.1 PSA
- 75.96000
- 2.1 logP
- 1.14900
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
27331-98-2Total: 1 Synthesis Route
7. Realated Product Infomation
-
14352-65-9
2-Hydroxyimino-3-oxo-butanoic acid,1,1-dimethylethyl ester
-
99855-38-6
Butanoic acid, 2-amino-3-oxo-, phenylmethyl ester, hydrochloride
-
892869-52-2
2-(Hydroxyimino)-3-oxo-olean-12-en-28-oic acid phenylmethyl ester
-
5339-83-3
ethyl (2Z)-2-(hydroxyimino)butanoate
-
92470-55-8
Butanoic acid, 2-amino-, phenylmethyl ester, (R)-
-
145324-19-2
2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, phenylmethyl ester, (αS,3aR,7aS)-
-
892869-53-3
2,3-Bis(hydroxyimino)olean-12-en-28-oic acid phenylmethyl ester
skype
