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Isobutyrophenone

Isobutyrophenone structure

CAS No:
611-70-1
Formula:
C10H12O
Chemical Name:
Isobutyrophenone
Synonyms:
1-Propanone,2-methyl-1-phenyl-;Isobutyrophenone;2-Methyl-1-phenyl-1-propanone;Isopropyl phenyl ketone;2-Methylpropiophenone;α-Methylpropiophenone;Phenyl isopropyl ketone;1-Phenyl-2-methyl-1-propanone;2-Methyl-1-phenylpropanone;NSC 6552
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to very slightly yellow liquid

Isobutyrophenone Basic Attributes

Molecular Weight：

148.2

Exact Mass：

148.20

EC Number：

210-275-0

UNII：

8L53972NTZ

NSC Number：

6552

DSSTox ID：

DTXSID6048202

HScode：

29143900

Characteristics

PSA：

17.1

XLogP3：

2.7

Appearance：

Clear liquid

Density：

0.999 g/cm³ @ Temp: 40 °C

Melting Point：

-1.3 °C

Boiling Point：

220 °C

Flash Point：

184 °F

Refractive Index：

n20/D 1.517(lit.)

Water Solubility：

H2O: immiscible

Storage Conditions：

Store below +30°C.

Vapor Pressure：

1 mm Hg ( 50 °C)

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 133 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Isobutyrophenone Use and Manufacturing

Uses

Used as photosensitizer intermediate

Manufacturing Info：

1-Propanone, 2-methyl-1-phenyl-: ACTIVE

Computed Properties

Molecular Weight:148.20
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:148.088815002
Monoisotopic Mass:148.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Isobutyrophenone

CAS No.: 611-70-1

Grade: industrial Grade

Content: 98%

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