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Benzenepropanal

Benzenepropanal structure

CAS No:
104-53-0
Formula:
C9H10O
Chemical Name:
Benzenepropanal
Synonyms:
Benzenepropanal;Hydrocinnamaldehyde;Benzylacetaldehyde;Hydrocinnamic aldehyde;3-Phenylpropanal;β-Phenylpropionaldehyde;3-Phenylpropyl aldehyde;3-Phenylpropionaldehyde;3-Phenyl-1-propanal;Dihydrocinnamaldehyde;NSC 9271;3-Phenylpropanaldehyde;719304-66-2
Categories:
Cosmetic Ingredient > Perfuming

Description

Solid

Solid|Colourless to slightly yellow liquid, strong pungent floral odour of hyacinth

3-phenylpropanal is a benzene which is substituted by a 3-oxopropyl group at position 1. It has a role as a flavouring agent and a plant metabolite. It is an aldehyde and a member of benzenes. It derives from a benzene.

Benzenepropanal Basic Attributes

Molecular Weight：

134.17500

Exact Mass：

134.18

EC Number：

203-211-8

UNII：

LP1E86N30T

NSC Number：

9271

DSSTox ID：

DTXSID0047610

HScode：

2912299000

Characteristics

PSA：

17.07000

XLogP3：

1.3

Appearance：

Solid

Density：

1.018 g/cm³ @ Temp: 20 °C

Melting Point：

47 °C

Boiling Point：

224 °C

Flash Point：

95ºC

Refractive Index：

1.52-1.525

Water Solubility：

insoluble in water; soluble in oils

Storage Conditions：

2-8ºC

Vapor Pressure：

0.131mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

RTECS Number：

MW4890000

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1678 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-phenylpropanal

Benzenepropanal Use and Manufacturing

Uses

It is widely used to formulate various floral flavors, especially lilac, jasmine and rose flavors.

Manufacturing Info：

Benzenepropanal: ACTIVE|Propanal, phenyl-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:134.17
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:134.073164938
Monoisotopic Mass:134.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:92.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl alcohol

Ethylene glycol

Vinyl acetate

N-Formylmorpholine

Formaldehyde

Glycerol

Acetic acid

Methanol

1-Propanol

Oxalyl chloride

Downstream Products

Benzaldehyde

Benzoic acid

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Guide of Benzenepropanal

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
Learn More Other Chemicals

Benzenepropanal

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