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6-Undecanone

6-Undecanone structure

CAS No:
927-49-1
Formula:
C11H22O
Chemical Name:
6-Undecanone
Synonyms:
6-Undecanone;Dipentyl ketone;Amyl ketone;Pentyl ketone;Diamyl ketone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to slightly yellow liquid 6-Undecanone has a fruity odor.

Liquid|Colourless white liquid

6-Undecanone is a ketone.

6-Undecanone Basic Attributes

Molecular Weight：

170.292

Exact Mass：

170.29

EC Number：

615-495-4

UNII：

8JMD3E1SOO

DSSTox ID：

DTXSID5061295

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

4.09

Appearance：

Liquid

Density：

0.81690 g/cm³ @ Temp: 15 °C

Melting Point：

14.5 °C

Boiling Point：

228 °C

Flash Point：

88.3±0.0 °C

Refractive Index：

1.425

Water Solubility：

0.05 mg/mL at 25 °C

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.05 mmHg

Safety Information

Packing level：

I; II; III

Transport codes：

UN 1993 / PGIII

wgk germany：

hazard class code：

R23/25

safety instructions：

S24/25

RTECS Number：

YQ2828000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P280, P370+P378, P403+P235, P501

Hazard Statements：

H227

GHS Classification：

|Warning|H315 (18.42%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 158 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

6-Undecanone Use and Manufacturing

Uses

Solvents (which become part of product formulation or mixture)

Paints and coatings

Manufacturing Info：

All other basic organic chemical manufacturing|Ketones, C11: ACTIVE|6-Undecanone: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:170.29
XLogP3:3.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:8
Exact Mass:170.167065321
Monoisotopic Mass:170.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:95.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes