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Phenylpropyl aldehyde

Phenylpropyl aldehyde structure

CAS No:
104-53-0
Formula:
C9H10O
Chemical Name:
Phenylpropyl aldehyde
Synonyms:
TIMTEC-BB SBB006730;PHENYLPROPYL ALDEHYDE;3-Phenylpropanaldehyde;NSC 9271;PHENYLPROPYL ALDEHYDE ( 3-PHENYLPROPIONALDEHYDE );3-Phenylprpanal;Hydrocinnamaldehyde,3-Phenylpropionaldehyde;3-Phenylpropionaldehyde, 95% 5GR
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.

Pale Yellow Oil

Phenylpropyl aldehyde occurs in Sri Lanka cinnamon bark oil, among others. The aldehyde is a colorless liquid with a strong, floral, slightly balsamic, heavy hyacinth-like odor. It tends to undergo self-condensation. Dihydrocinnamaldehyde can be obtained with scarcely any byproducts by selective hydrogenation of cinnamaldehyde. It is used in perfumery for hyacinth and lilac compositions.

Phenylpropyl aldehyde Basic Attributes

Molecular Weight：

134.18

Exact Mass：

134.18

BRN：

1071910

EC Number：

203-211-8

UNII：

LP1E86N30T

NSC Number：

9271

TSCA：

TSCA listed

DSSTox ID：

DTXSID0047610

Color/Form：

Clear colorless to light yellow

HScode：

29122900

Characteristics

PSA：

17.07000

XLogP3：

1.3

Appearance：

Solid

Density：

1.019 g/mL at 25 °C (lit.)

Melting Point：

-42 °C

Boiling Point：

97-98 °C/12 mmHg (lit.)

Flash Point：

95ºC

Refractive Index：

n20/D1.523(lit.)

Water Solubility：

Miscible with chloroform, dichloromethane, ethyl acetate, alcohol and ether. Immiscible with water.

Storage Conditions：

2-8ºC

Vapor Pressure：

15 hPa (98 °C)

Toxicity：

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Odor：

at 10.00 % in dipropylene glycol. fresh cortex green leaf foliage balsam storax

Autoignition Temperature：

245 °C DIN 51794

Critical Temperature & Pressure：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-36-37/39

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：

36/38-36/37/38

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

Phenylpropyl aldehyde Use and Manufacturing

Uses

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

3-Phenylpropanal (cas# 104-53-0) is a compound useful in organic synthesis.

Production

Henylpropyl aldehyde is most commonly prepared by the partial hydrogenation of cinnamaldehyde. The 3-phenylpropanal that is formed during the hydroformylation of styrene can be separated from the isomeric 2-phenylpropanal as the bisulfite adduct. The Rosenmund reduction of dihydrocinnamoyl chloride in the presence of Pd/BaSO4 gives good yields of the aldehyde. The reaction of 2-propen-1-ol and phenylmercury chloride with CuCl2 and LiPdCl4 catalysts in methanol, and the reaction of phenyl bromide and allyl alcohol in the presence of PdCl2 and NaHCO3 in nonpolar solvents also lead to the formation of 3-phenylpropanal.

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 Phenylpropyl aldehyde

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

Phenylpropyl aldehyde

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