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155063

Sigma-Aldrich

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:
4832-16-0
Molecular Weight:
152.23
EC Number:
225-410-9
MDL number:
MFCD00001697
UNSPSC Code:
12352100
PubChem Substance ID:
24849334
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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Certificates of Analysis (COA)

Lot/Batch Number
SHBB8181V
SHBB6859V
54596KKV
54596KK
05696HK

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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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