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M38583

Sigma-Aldrich

(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

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

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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

M38583-5G:4548173202792
M38583-BULK:
M38583-25G:
M38583-VAR:

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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Linear and nonlinear circular dichroism of R-(+)-3-methylcyclopentanone
Li, R., et al.
J. Chem. Phys. , 125.14, 144304-144304 (2006)
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)
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)
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