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306053

Sigma-Aldrich

Methylcyclohexane-d14

99.5 atom % D

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About This Item

Linear Formula:
C6D11CD3
CAS Number:
10120-28-2
Molecular Weight:
112.27
EC Number:
233-325-3
MDL number:
MFCD00001498
UNSPSC Code:
12142201
PubChem Substance ID:
24858473
NACRES:
NA.21

isotopic purity

99.5 atom % D

Assay

99% (CP)

form

liquid

expl. lim.

0.34-6.3 % (lit.)

technique(s)

NMR: suitable

refractive index

n20/D 1.4189 (lit.)

bp

101 °C

mp

-126 °C (lit.)

density

0.88 g/mL at 25 °C (lit.)

mass shift

M+14

SMILES string

[2H]C([2H])([2H])C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

InChI

1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D

InChI key

UAEPNZWRGJTJPN-OBYKGMMLSA-N

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Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

24.8 °F - closed cup

Flash Point(C)

-4 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Anharmonicity and Hydrogen Bonding. The in-plane OH Bending and its Combination with the OH Stretching Vibration.
Asselin M and Sandorfy C.
Canadian Journal of Chemistry, 49(9), 1539-1544 (1971)
Origin of multiple phosphorescence emission from p-chlorobenzaldehyde in polycrystallized methylcyclohexane-d14 at 4.2 K.
Lamotte M and Goodman L.
The Journal of Physical Chemistry, 86(17), 3371-3374 (1982)

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