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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.)

functional group

ketone

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

195.8 °F - closed cup

Flash Point(C)

91 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBC2521V
56696KKV
56696KK
08924AE
11222MC

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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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