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Structure

Acetic acid 2-isopropyl-5-methylhexyl ester

CAS
40853-55-2
Catalog Number
ACM40853552
Category
Other Products
Molecular Weight
200.32
Molecular Formula
C12H24O2

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Specification

Synonyms
Tetrahydrolavandulol, tetrahydrolavandulyl acetate, 2-Isopropyl-5-methylhexyl acetate, QLFSGYMLVZGFJT-UHFFFAOYSA-, EINECS 255-112-4, CID524263, (5-methyl-2-propan-2-ylhexyl) acetate, A1149, Acetic Acid 2-Isopropyl-5-methylhexyl Ester, 1-Hexanol, 5-methyl-2-(1-methylethyl)-, acetate, 40853-55-2, InChI=1/C12H24O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h9-10,12H,6-8H2,1-5H3
IUPAC Name
(5-methyl-2-propan-2-ylhexyl) acetate
Canonical SMILES
CC(C)CCC(COC(=O)C)C(C)C
InChI Key
QLFSGYMLVZGFJT-UHFFFAOYSA-N
Boiling Point
212.4ºC at 760mmHg
Flash Point
83.9ºC
Density
0.87
EC Number
255-112-4
Exact Mass
200.17800
H-Bond Acceptor
2
H-Bond Donor
0
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