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Diisopropyl ketone

Diisopropyl ketone structure

CAS No:
565-80-0
Formula:
C7H14O
Chemical Name:
Diisopropyl ketone
Synonyms:
3-Pentanone,2,4-dimethyl-;2,4-Dimethyl-3-pentanone;Diisopropyl ketone;Isobutyrone;Isopropyl ketone;NSC 14662
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

clear colorless to yellow liquid

Liquid

2,4-dimethyl-3-pentanone is a pentanone that is pentan-3-one substituted by methyl groups at positions 2 and 4 respectively. It has a role as a metabolite. It derives from a pentan-3-one.

Diisopropyl ketone Basic Attributes

Molecular Weight：

114.188

Exact Mass：

114.19

EC Number：

209-294-7

UNII：

7AAP3A50IG

NSC Number：

14662

DSSTox ID：

DTXSID3038771

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

1.86

Appearance：

Liquid

Density：

0.8039 g/cm³ @ Temp: 20 °C

Melting Point：

-69 °C

Boiling Point：

125.4 °C

Flash Point：

60 °F

Refractive Index：

n20/D 1.400(lit.)

Water Solubility：

H2O: insoluble

Storage Conditions：

Flammables area

Vapor Pressure：

13.42 mmHg

OH：

5.38e-12 cm3/molecule*sec

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1224 3/PG 2

wgk germany：

hazard class code：

R11;R20

safety instructions：

S9-S16-S24/25

RTECS Number：

SA8575500

Marks：

F:Flammable;Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210

Hazard Statements：

H225-H332

GHS Classification：

|Danger|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P271, P272, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P312, P314, P321, P333+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 421 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Diisopropyl ketone Use and Manufacturing

Uses

DiPK has been used in automotive assembly plants as a ketonic solvent for fuel injectors and as a photoinitiator for IV-curable acrylic coatings in optical fiber gratings. The U.S. production ofDnPK was estimated to be,500,000 lb in 2005 according to the 2006 U.S. EPA Inventory Update Reporting database.

Intermediates

Personal care products

Manufacturing Info：

All other basic organic chemical manufacturing|3-Pentanone, 2,4-dimethyl-: ACTIVE

Computed Properties

Molecular Weight:114.19
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:72.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Diisopropyl ketone

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2,4-Dimethyl-3-pentanone

CAS No.: 565-80-0

Grade: Industrial Grade

Content: 99%

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