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Merck
CN

348961

Oxacyclotridecan-2-one

98%

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About This Item

Empirical Formula (Hill Notation):
C12H22O2
CAS Number:
947-05-7
Molecular Weight:
198.30
NACRES:
NA.22
PubChem Substance ID:
24861486
UNSPSC Code:
12352100
MDL number:
MFCD00075426

Key Documents

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Product Name

Oxacyclotridecan-2-one, 98%

InChI

1S/C12H22O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2

SMILES string

O=C1CCCCCCCCCCCO1

InChI key

DQGSJTVMODPFBK-UHFFFAOYSA-N

assay

98%

form

liquid

refractive index

n20/D 1.472 (lit.)

bp

150-151 °C/23 mmHg (lit.)

mp

2-3 °C (lit.)

density

0.981 g/mL at 25 °C (lit.)

functional group

ester

Quality Level

100

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Application

Oxacyclotridecan-2-one may be used in the synthesis of fatty acid derivative, (E)-11-methyl-12-octadecenoic acid.

General description

Oxacyclotridecan-2-one is a lactone (lauryl lactone). It is formed by the Baeyer-Villiger oxidation of cyclododecanone.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKBC2506V
MKBC2506
07413JW
15220CE
14417CE

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K Kostichka et al.
Journal of bacteriology, 183(21), 6478-6486 (2001-10-10)
Biological oxidation of cyclic ketones normally results in formation of the corresponding dicarboxylic acids, which are further metabolized in the cell. Rhodococcus ruber strain SC1 was isolated from an industrial wastewater bioreactor that was able to utilize cyclododecanone as the
N M Carballeira et al.
Lipids, 33(6), 627-632 (1998-07-09)
The fatty acid composition of a Pseudomonas sp. (Alteromonas) and its host, the dinoflagellate Ostreopsis lenticularis, vectors in ciguatera fish poisoning, has been studied. The major fatty acids in O. lenticularis were 16:0, 20:5n-3, and 22:6n-3, but 18:2n-6, 18:3n-3, and
Coraline Simon et al.
Toxicology in vitro : an international journal published in association with BIBRA, 37, 121-133 (2016-10-19)
Endocrine activity of 65 compounds migrating from polycarbonate replacement plastic baby bottles was assessed using in vitro cell based assays (reporter gene assays) involving 7 nuclear receptors, i.e. human steroid hormones receptors (oestrogen, androgen, progesterone and glucocorticoid receptors), human thyroid
Matthias Onghena et al.
Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 31(12), 2090-2102 (2014-11-20)
In 2011, the European Union prohibited the production of polycarbonate (PC) baby bottles due to the toxic effects of the PC monomer bisphenol-A. Therefore, baby bottles made of alternative materials, e.g. polypropylene (PP) or polyethersulphone (PES), are currently marketed. The

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