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经验公式(希尔记法):
C5H10O3
化学文摘社编号:
分子量:
118.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1743952
Assay:
≥95.0% (T)
InChI
1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
SMILES string
CC(C)(O)CC(O)=O
InChI key
AXFYFNCPONWUHW-UHFFFAOYSA-N
assay
≥95.0% (T)
refractive index
n20/D 1.4415 (lit.)
bp
88 °C/1 mmHg (lit.)
mp
−80 °C (lit.)
density
0.938 g/mL at 25 °C (lit.)
functional group
carboxylic acid, hydroxyl
Quality Level
Application
β-羟基异戊酸可作为甾体醇的前体。
它被广泛用于合成炭疽四糖及其类似物,作为炭疽疫苗的候选物。β-羟基异戊酸也可用于合成 β-内酯通过 2-甲基-6-硝基苯酐 (MNBA) 分子内脱水缩合反应生成。
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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De novo asymmetric synthesis of anthrax tetrasaccharide and related tetrasaccharide.
Guo, Haibing and O?Doherty, George A
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