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3-Phenylbutanal

3-Phenylbutanal structure

CAS No:
16251-77-7
Formula:
C10H12O
Chemical Name:
3-Phenylbutanal
Synonyms:
Benzenepropanal,β-methyl-;Hydrocinnamaldehyde,β-methyl-;β-Methylbenzenepropanal;3-Phenylbutanal;3-Phenylbutyraldehyde;(RS)-3-Phenylbutanal;(±)-3-Phenylbutyraldehyde;Trifernal;3-Methyl-3-phenylpropionaldehyde;3-Phenylbutylaldehyde;3-Phenyl-1-butanal;108211-22-9;65885-41-8
Categories:
Cosmetic Ingredient > Perfuming

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3-Phenylbutanal Basic Attributes

Molecular Weight：

148.2

Exact Mass：

148.20

EC Number：

240-362-9

DSSTox ID：

DTXSID4047098

HScode：

2912299000

Characteristics

PSA：

17.1

XLogP3：

2.37910

Density：

1.059 g/cm³ @ Temp: 20 °C

Boiling Point：

110 °C @ Press: 9 Torr

Flash Point：

206 °F

Refractive Index：

n 20/D 1.5179(lit.)

Vapor Pressure：

0.206mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

Not Classified| |Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 25 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-phenylbutanal

3-Phenylbutanal Use and Manufacturing

Uses

Air care products

Manufacturing Info：

Benzenepropanal, .beta.-methyl-: ACTIVE

Computed Properties

Molecular Weight:148.20
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:148.088815002
Monoisotopic Mass:148.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:114
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 16251-77-7

Grade: Industrial Grade

Content: 99%

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16251-77-7 3-phenylbutanal

CAS No.: 16251-77-7

Grade: Industrial Grade

Content: 95%

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Guide of 3-Phenylbutanal

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Phenylbutanal

SDS

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