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Merck
CN

M38583

(R)-(+)-3-Methylcyclohexanone

98%

Synonym(s):

(+)-(3R)-3-Methylcyclohexanone, (+)-3(R)-Methylcyclohexanone, (+)-3-Methyl-1-cyclohexanone, (3R)-(+)-3-Methylcyclohexanone, (3R)-3-Methylcyclohexanone, (3R)-Methylcyclohexanone, (R)-3-Methylcyclohexanone

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About This Item

Linear Formula:
CH3C6H9(=O)
CAS Number:
13368-65-5
Molecular Weight:
112.17
EC Number:
236-438-6
MDL number:
MFCD00062999
UNSPSC Code:
12352115
PubChem Substance ID:
24896880
NACRES:
NA.22

Key Documents

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Quality Level

100

Assay

98%

optical activity

[α]24/D +13.5°, neat

optical purity

ee: 99% (GLC)

refractive index

n20/D 1.446 (lit.)

bp

168-169 °C (lit.)

density

0.916 g/mL at 25 °C (lit.)

SMILES string

C[C@@H]1CCCC(=O)C1

InChI

1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1

InChI key

UJBOOUHRTQVGRU-ZCFIWIBFSA-N

Related Categories

Application

(R)-(+)-3-Methylcyclohexanone may be used in the preparation of (R)-5-methyl-2-(1-methylethylidene-d6)-cyclohexanone [(R)-(+)-pulegone-d6].

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

125.6 °F - closed cup

Flash Point(C)

52 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
0000244496
0000244496
MKCR3313
MKCF8715
MKBV1506V

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Enantiospecific Adsorption of (R)-3-Methylcyclohexanone on Naturally Chiral Cu (531) R&S Surfaces
Huang, Ye, and Andrew J. Gellman
Catalysis Letters, 125-3.4, 177-182 (2008)
Polarized Raman optical activity and the bond polarizability model
Barron, L. D., J. R. Escribano, and J. F. Torrance
Molecular Physics, 57.3, 653-660 (1986)
The metabolism of the abortifacient terpene,(R)-(+)-pulegone, to a proximate toxin, menthofuran.
Gordon WP, et al.
Drug Metabolism and Disposition, 15(5), 589-594 (1987)
Enantiospecific orientation of R?3-methylcyclohexanone on the chiral Cu (643) R/S surfaces
Horvath, Joshua D., Layton Baker, and Andrew J. Gellman
The Journal of Physical Chemistry C, 112.20, 7637-7343 (2008)
Linear and nonlinear circular dichroism of R-(+)-3-methylcyclopentanone
Li, R., et al.
J. Chem. Phys. , 125.14, 144304-144304 (2006)
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