155063
1-Decalone,mixture of cis and trans
97%
Synonym(s):
Decahydro-1-naphthalenone
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About This Item
Empirical Formula (Hill Notation):
C10H16O
CAS Number:
Molecular Weight:
152.23
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
97%
form
liquid
refractive index
n20/D 1.492 (lit.)
bp
73-75 °C/1 mmHg (lit.)
density
0.986 g/mL at 25 °C (lit.)
functional group
ketone
SMILES string
O=C1CCCC2CCCCC12
InChI
1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-9H,1-7H2
InChI key
AFEFRXAPJRCTOW-UHFFFAOYSA-N
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Application
trans-1-decalone was used as a substrate for the ketoreductase of the diketide synthase. cis-1-Decalone was used in the preparation of [cis-cis-1-decalyl glucosid]-uronic acid.
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
190.4 °F - closed cup
Flash Point(C)
88 °C - closed cup
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Lars H Østergaard et al.
Biochemistry, 41(8), 2719-2726 (2002-02-20)
Multiple ketoreductase activities play a crucial role in establishing the stereochemistry of the products of modular polyketide synthases (PKSs), but there has been little systematic scrutiny of catalysis by individual ketoreductases. To allow this, a diketide synthase, consisting of the
T H Elliott et al.
The Biochemical journal, 100(2), 393-402 (1966-08-01)
1. The metabolism of (+/-)-cis-1-, (+/-)-trans-1-, (+/-)-cis-2- and (+/-)-trans-2-decalone in the rabbit has been investigated. 2. (+/-)-cis-2- and (+/-)-trans-2-Decalone were both reduced to racemic secondary alcohols, conformationally related to the ketones administered, and possessing an equatorial hydroxyl group. These alcohols
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