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156655

Sigma-Aldrich

trans-1-Decalone

98%

Synonym(s):

trans-Decahydro-1-naphthalenone

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About This Item

Empirical Formula (Hill Notation):
C10H16O
CAS Number:
21370-71-8
Molecular Weight:
152.23
EC Number:
244-352-5
MDL number:
MFCD00064175
UNSPSC Code:
12352100
PubChem Substance ID:
24849624
NACRES:
NA.22

Quality Level

100

assay

98%

bp

73 °C/1 mmHg (lit.)

mp

30-32 °C (lit.)

SMILES string

[H][C@]12CCCC[C@]1([H])C(=O)CCC2

InChI

1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h8-9H,1-7H2/t8-,9+/m1/s1

InChI key

AFEFRXAPJRCTOW-BDAKNGLRSA-N

Related Categories

application

The product has been used to study its proton resonance spectra using NMR.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

195.8 °F - closed cup

flash_point_c

91 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

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Proton chemical shifts in NMR. Part 13. Proton chemical shifts in ketones and the magnetic anisotropy and electric field effect of the carbonyl group.
Abraham RJ and Ainger NJ
Journal of the Chemical Society, 2(3), 441-448 (1999)

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