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Isophorone

ALDRICH/I18709 - 97%

Synonym: 3,5,5-Trimethyl-2-cyclohexen-1-one

CAS Number: 78-59-1
Empirical Formula (Hill Notation): C9H14O
Molecular Weight: 138.21
EC Number: 201-126-0
MDL Number: MFCD00001584
Linear Formula: C9H14O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-I18709-5ML 5 mL
 $0.00
1/EA
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45-I18709-100ML 100 mL
 $32.00
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45-I18709-1L 1 L
 $65.50
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assay 97%
autoignition temp. 864 °F
bp 213-214 °C (lit.)
density 0.923 g/mL at 25 °C (lit.)
expl. lim. 3.8 %
form liquid
InChI 1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChI key HJOVHMDZYOCNQW-UHFFFAOYSA-N
mp −8 °C (lit.)
Quality Level 200 
refractive index n20/D 1.476 (lit.)
SMILES string CC1=CC(=O)CC(C)(C)C1
vapor density 4.77 (vs air)
vapor pressure 0.2 mmHg ( 20 °C)
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