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2,6-二甲基-4-庚酮

Name: 2,6-二甲基-4-庚酮
Brand: SIAL

technical, ~70% (GC)

别名:

二异丁基酮, 二异丙基丙酮

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线性分子式:

(CH₃)₂CHCH₂COCH₂CH(CH₃)₂

化学文摘社编号:

108-83-8

分子量:

142.24

PubChem Substance ID:

24863846

UNSPSC Code:

12352100

Beilstein/REAXYS Number:

1743163

MDL number:

MFCD00008940

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属性

vapor density

4.9 (vs air)

vapor pressure

1.7 mmHg ( 20 °C)

grade

technical

assay

~70% (GC)

autoignition temp.

745 °F

expl. lim.

0.8-6.2 %, 100 °F

impurities

~25% 2,4-dimethyl-6-heptanone

refractive index

n20/D 1.412 (lit.), n20/D 1.415

bp

165-170 °C (lit.)

density

0.808 g/mL at 25 °C (lit.)

SMILES string

CC(C)CC(=O)CC(C)C

InChI

1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3

InChI key

PTTPXKJBFFKCEK-UHFFFAOYSA-N

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Validation of the OptiSafe™ eye irritation test.

Neepa Choksi et al.

Cutaneous and ocular toxicology, 39(3), 180-192 (2020-06-27)

OptiSafe is an in chemico test method that identifies potential eye irritants based on macromolecular damage following test chemical exposure. The OptiSafe protocol includes a prescreen assessment that identifies test chemicals that are outside the applicability domain of the test