Cyclododecanone

HCID 13246
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Basic information

CAS
830-13-7
Standard SMILES
O=C1CCCCCCCCCCC1
InChIKey
SXVPOSFURRDKBO-UHFFFAOYSA-N
Molecular formula
C12H22O
Average molar mass
182.3 g/mol
Monoisotopic mass
182.16706532

Overview

Cyclododecanone is a cyclic ketone.

Names & identifiers

Preferred name
Cyclododecanone
IUPAC
cyclododecanone
English name
Cyclododecanone
Molecular formula
C12H22O
Molecular weight
182.3

Names & synonyms

CYCLODODECANONE830-13-7DTXSID3027322NSC 77116UNII-WL053118A9HSDB 5762EINECS 212-595-6NSC-77116WL053118A9CYCLODODECANONE [HSDB]DTXCID707322EC 212-595-6
Show more names
CyclododecanonCyclododecanone >CDON),CyclododecanoCYCLODODECANONE, 99+%Cyclododecanone (CDON)Cyclododecanone, ≥ 99.0%
RefChem:129458212-595-6InChI=1/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11HSXVPOSFURRDKBO-UHFFFAOYSA-Ncyclododecan-1-oneMFCD00003722CAS-830-13-71-CYCLODODECANONE

Database identifiers

CAS
830-13-7
PubChem CID
13246
DTXSID
DTXSID3027322
ChEMBL
CHEMBL1883853
ChEBI
CHEBI:177614
UNII
WL053118A9
EC Number
212-595-6
Nikkaji
J45.686A

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesBoiling point
LogP · 2 items

4.10

4.1

Melting Point59 °C
Vapor Pressure0.0075 [mmHg]
Physical Description · 2 items

Solid; [IUCLID] Colorless crystalline lumps; [MSDSonline]

Solid

Physicochemical properties

Melting point
59 · 59-61 °C (lit.)
Boiling point
85 °C/1 · 85 °C/1 mmHg (lit.)
Density
0.906 g/mL · 0.906 g/mL at 25 °C (lit.)
vapor pressure
1 hPa · <1 hPa (20 °C)
refractive index
1.4571 · 1.4571 (estimate)
Flash point
118 °C · 118 °C

Safety & regulation

GHS classification

GHS Classification · 3 items

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 180 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Cyclododecanone

Status: Active Update: 26-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1731

Cyclododecanone: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and CategoriesAquatic Chronic 2 (100%)

Safety & protection

Disposal MethodsTREATING WASTE GAS & WASTE SOLUTION FROM THE OXIDATION OF ORGANIC COMPOUNDS WITH NITRIC ACID.

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) > 25,000 mg/m3

Safety data

PPE
Eyeshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
GU2301520
ridadr
UN 3077 9/PG 3
hs_code
2914 29 00

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

General Manufacturing InformationCyclododecanone: ACTIVE

Applications

UsesCyclododecanone is a general chemical reagent used in organic synthesis.

Upstream & downstream products

Upstream raw materials

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: Cyclododecanone is a cyclic ketone.

Related reactions

138 records
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Compound notes

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