CAS 7492-70-8|BUTYLBUTYRYL LACTATE|1-butoxy-1-oxopropan-2-yl butanoate|1-butoxy-1-oxopropan-2-yl butanoate|丁酰乳酸丁酯|Butyl butyryllactate|1-Butoxy-1-oxopropan-2-yl butyrate|FEMA 2190|O-butyryllac...

基本信息

化学结构

分子式

C₁₁H₂₀O₄

分子量

216.2741

精确质量

216.13615912

电荷

InChI

InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3

InChIKey

NORZZKKLCYMBBF-UHFFFAOYSA-N

Canonic Smiles

CCCCOC(=O)C(OC(=O)CCC)C

Isomeric Smiles

CCCCOC(=O)C(C)OC(=O)CCC

计算属性

JChem

LogD (pH = 7.4)

2.58

LogD (pH = 5.5)

2.58

Log P

2.58

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

-6.90

极化表面积

52.60

极化性

24.07

摩尔折射率

55.86

LOG S

-2.57

数据来源

名称和标识

别名

BUTYLBUTYRYL LACTATE丁酰乳酸丁酯Butyl butyryllactate1-Butoxy-1-oxopropan-2-yl butyrate1-butoxy-1-oxopropan-2-yl butyratebutyl butyryllactatebutyl O-butyryllactateFEMA 2190butyl butyrolactatebutyric acid ester with butyl lactateO-butyryllactic acid butyl esterbutanoic acid 2-butoxy-1-methyl-2-oxoethyl estern-butyl n-butyryl lactate2-butoxy-1-methyl-2-oxoethyl butanoatebutyl 2-(butyryloxy)propionatelactic acid, butyl ester, butyrate(1-butoxy-1-oxopropan-2-yl) butanoatebutyl butyryl lactate

IUPAC标准名

1-butoxy-1-oxopropan-2-yl butanoate

IUPAC传统名

1-butoxy-1-oxopropan-2-yl butanoate butyl butyrolactate

名称和标识

数据登录号

CAS号

7492-70-8

PubChem SID

162095902249009072490090685367854

PubChem CID

24114