Cyclohexanone,2,2-dimethyl-

CAS

1193-47-1

Catalog Number

ACM1193471

Category

Other Products

Molecular Weight

126.1962

Molecular Formula

C₈H₁₄O

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

2,2-Dimethylcyclohexanone, Dimethylcyclohexanone, Cyclohexanone, 2,2-dimethyl-, 373613_ALDRICH, NSC20553, EINECS 215-589-1, 1193-47-1, 1333-44-4

IUPAC Name

2,2-dimethylcyclohexan-1-one

Canonical SMILES

CC1(CCCCC1=O)C

InChI Key

KNSPBSQWRKKAPI-UHFFFAOYSA-N

Boiling Point

170.6ºC at 760mmHg

Melting Point

-20ºC(lit.)

Flash Point

50.1ºC

Density

0.892g/cm³

EC Number

215-589-1

Exact Mass

126.10400

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S16

Upstream Synthesis Route 1

590-66-9

2979-19-3
1193-46-0
932-01-4
767-12-4
1193-47-1
4255-62-3

Reference: [1] Journal of the American Chemical Society, 2015, vol. 137, # 50, p. 15833 - 15842

Downstream Synthesis Route 1

1193-47-1

24247-77-6

Reference: [1] Patent: WO2011/144584, 2011, A1,

Downstream Synthesis Route 2

1193-47-1
540-69-2
77287-34-4

24247-77-6

Reference: [1] Bulletin de la Societe Chimique de France, 1957, p. 600,606

Downstream Synthesis Route 3

1193-47-1

1193-46-0

Reference: [1]Walters, Jennifer C.; Tierno, Anthony F.; Dubin, Aimee H.; Wengryniuk, Sarah E.
[European Journal of Organic Chemistry, 2018, vol. 2018, # 12, p. 1460 - 1464]

Downstream Synthesis Route 4

1193-47-1

21690-26-6

Reference: [1]Wiesler, Stefan; Bau, Michael A.; Niepel, Thomas; Younas, Sara L.; Luu, Hieu-Trinh; Streuff, Jan
[European Journal of Organic Chemistry, 2019, vol. 2019, # 36, p. 6246 - 6260]

Downstream Synthesis Route 5

1193-47-1

4500-17-8

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - WO2011/144584, 2011, A1
Location in patent: Page/Page column 66
[2]Johnson; Posvic
[Journal of the American Chemical Society, 1947, vol. 69, p. 1361,1365]
Johnson
[Journal of the American Chemical Society, 1943, vol. 65, p. 1317,1320]
[3]Marsman, Albert W.; Van Walree, Cornelis A.; Havenith, Remco W.A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T.G.; Van der Maas, Joop H.
[Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 3, p. 501 - 510]
[4]Yang, Qi-Liang; Li, Yi-Qian; Ma, Cong; Fang, Ping; Zhang, Xiu-Jie; Mei, Tian-Sheng
[Journal of the American Chemical Society, 2017, vol. 139, # 8, p. 3293 - 3298]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

Recommended Products