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3-Oxopropyl acetate,CAS:18545-28-3
- 商品名称： 3-Oxopropyl acetate,CAS:18545-28-3
- Product No.： BK04125
- Product Name： 3-Oxopropyl acetate
- 中文名称： 3 - 氧代乙酸丙酯
- CAS.： 18545-28-3
- Formula： C5H8O3
- M.W.： 116.12
相关描述
3-Oxopropyl acetate | CAS: 18545-28-3;
Chinese Name: 3-ketoacetic acid propyl ester; 3-acetyloxypropanal.
Basic Identification
• IUPAC: 3-oxopropyl acetate / 3-(acetyloxy)propanal
• Molecular Formula: C5H8O3
• Molecular Weight: 116.115
• EINECS: 242-416-7
• SMILES: CC(=O)OCCC=O
• InChI: InChI=1S/C5H8O3/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3
• InChIKey: PRSPLAWXBFRHKV-UHFFFAOYSA-N.
Physical and Chemical Properties • Density: 1.037 g/cm³
• Boiling Point: 165.5 ℃ (760 mmHg)
• Flash Point: 59.2 ℃
• LogP: 0.147
• Appearance: Colorless liquid with a sweet fruity fragrance
• Functional Groups: Aldehyde group + acetate group; it is the acetylated form of 3-hydroxypropanal (preventing self-cyclization of 3-hydroxypropanal). Alternative Names: 3-Acetoxypropanal, 3-Acetoxypropionaldehyde, Acetic acid 2-formylethyl ester, Acetic acid 3-oxopropyl ester.
Main Uses
1. Organic Synthesis Building Block: Undergoes aldehyde reactions such as Wittig, Grignard, and reductive amination; subsequent ester hydrolysis releases the hydroxyl group; hydrogenation can produce 1,3-propanediol without acrolein by-products.
2. Analytical Chemistry: HPLC reference standard, separable and detectable on Newcrom R1 reverse-phase column.
3. Pharmaceutical Intermediate
所属分类： 聚乙二醇类
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