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3-Methyl-4-phenyl-3-buten-2-one

3-Methyl-4-phenyl-3-buten-2-one structure

CAS No:
1901-26-4
Formula:
C11H12O
Chemical Name:
3-Methyl-4-phenyl-3-buten-2-one
Synonyms:
3-Buten-2-one,3-methyl-4-phenyl-;3-Methyl-4-phenyl-3-buten-2-one;3-Methyl-4-phenylbut-3-en-2-one;Methyl α-methylstyryl ketone;4-Phenyl-3-methyl-3-buten-2-one;NSC 46888
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

pale yellow crystalline solid with a sweet, fruity, berry, camphor odour

3-Methyl-4-phenyl-3-buten-2-one Basic Attributes

Molecular Weight：

160.21200

Exact Mass：

160.21

EC Number：

217-599-1

DSSTox ID：

DTXSID0062050

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

2.67890

Density：

0.999g/cm3

Melting Point：

37-38 °C

Boiling Point：

130-135 °C @ Press: 12 Torr

Flash Point：

96.3ºC

Refractive Index：

1.552

Water Solubility：

insoluble in water; soluble in organic solvents, oils|very soluble (in ethanol)

Vapor Pressure：

0.00719mmHg at 25°C

Safety Information

GHS Classification：

Not Classified

3-Methyl-4-phenyl-3-buten-2-one Use and Manufacturing

Manufacturing Info：

3-Buten-2-one, 3-methyl-4-phenyl-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:160.21
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:160.088815002
Monoisotopic Mass:160.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:185
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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6-Chloro-2,3-dihydro-1H-inden-1-one CAS 1901-26-4 Organic Building Block for Pharmaceutical Research

Unit Price: $7000-9000 /KG FOB

CAS No.: 1901-26-4

Grade: Reagent Grade

Content: 99%

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Guide of 3-Methyl-4-phenyl-3-buten-2-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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