Acetoacetic acid, cyclohexyl ester
CAS 6947-02-0 MFCD00521067
化学结构图
SMILES: CC(=O)CC(=O)Oc1ccccc1
化学属性
| Mol. Formula | C10H16O3 |
|---|---|
| Mol. Weight | 184.23 |
别名和识别编码
| Chemical Name | Acetoacetic acid, cyclohexyl ester |
|---|---|
| Synonym | Cyclohexyl 3-oxobutanoate {uni_hamburg} Cyclohexyl acetoacetate Cyclohexylacetonacetate acetoacetic acid cyclohexyl ester Butanoic acid, 3-oxo-, cyclohexyl ester 3-oxo-butyric acid cyclohexyl ester cyclohexyl acetoacetate |
| MDL Number | MFCD00521067 |
| Wiswesser Line Notation | L6TJ AOV1V1 |
| CAS Number | 6947-02-0 |
| Beilstein Registry Number | 1950710 |
| InChIKey | GJOSRMAVDXJBCZ-UHFFFAOYSA-N |
| PubChem Substance ID | 23376 |
| InChI | InChI=1S/C10H16O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h9H,2-7H2,1H3 |
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分类
- {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ester; ketone; 1fragment
- {SNA} Building Blocks, C10, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds
相关文献及参考
- Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 7200 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >10 mL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
