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Cyclododecanone

Cyclododecanone structure

CAS No:
830-13-7
Formula:
C12H22O
Chemical Name:
Cyclododecanone
Synonyms:
Cyclododecanone;NSC 77116
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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Description

COLOURLESS TO WHITE ADHERING CRYSTALS

Liquid|Solid

Cyclododecanone is a cyclic ketone.

Cyclododecanone Basic Attributes

Molecular Weight：

182.307

Exact Mass：

182.30

EC Number：

212-595-6

UNII：

WL053118A9

NSC Number：

77116

DSSTox ID：

DTXSID3027322

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

4.10

Appearance：

Liquid

Density：

0.9059 g/cm³ @ Temp: 66 °C

Melting Point：

59 °C

Boiling Point：

126-128 °C

Flash Point：

108.8±10.7 °C

Refractive Index：

1.443

Vapor Pressure：

<1 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: > 2500 mg/kg

Safety Information

Packing level：

III

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

51/53

safety instructions：

S60-S61

Marks：

N: Dangerous for the environment;

Precautionary statement(s)：

P273

Hazard Statements：

H411

Disposal Methods：

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

GHS Classification：

|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 159 companies from 3 notifications to the ECHA C&L Inventory.

Cyclododecanone Use and Manufacturing

Uses

Intermediates

Manufacturing Info：

All other basic organic chemical manufacturing|Cyclododecanone: ACTIVE

Computed Properties

Molecular Weight:182.30
XLogP3:4.2
Hydrogen Bond Acceptor Count:1
Exact Mass:182.167065321
Monoisotopic Mass:182.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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