3-苯丙醛

Description

Phenylpropyl aldehyde (3-Phenylpropionaldehyde) is identified by CAS 104-53-0, molecular formula C9H10O and molecular weight 134.07 g/mol. UNII LP1E86N30T; ChEBI 39940; InChIKey YGCZTXZTJXYWCO-UHFFFAOYSA-N. Boiling Point: 97.00 to 98.00 °C. @ 12.00 mm Hg; Boiling Point: 222 °C; Melting Point: 47 °C.

Identification

CAS Registry Number	104-53-0
PubChem CID	7707
Molecular formula	C9H10O
Molecular weight	134.07 g/mol
IUPAC name	3-phenylpropanal
InChIKey	YGCZTXZTJXYWCO-UHFFFAOYSA-N
UNII (FDA)	LP1E86N30T
ChEBI ID	CHEBI:39940
FEMA number	2887
JECFA number	645

Computed Descriptors

Molecular Weight	134.17
XLogP3	1.3
Hydrogen Bond Donor Count	0
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
Formal Charge	0

Physical & Chemical Properties

Boiling Point	97.00 to 98.00 °C. @ 12.00 mm Hg
Boiling Point	222 °C
Melting Point	47 °C
Density	1.008-1.018
Refractive Index	1.518-1.528

Physical description & handling notes

• Colorless or light yellow liquid; [Acros Organics MSDS]
• Solid
• Colourless to slightly yellow liquid, strong pungent floral odour of hyacinth
• insoluble in water; soluble in oils
• miscible (in ethanol)
• 120.37 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%)

Documented Uses

• Used as a flavoring agent; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 1 consumer products that contain Hydrocinnamaldehyde in the following categories is provided:

Synonyms

3-Phenylpropanal; 104-53-0; Benzenepropanal; 3-Phenylpropionaldehyde; Hydrocinnamic aldehyde; 3-Phenyl-1-propanal; Phenylpropyl aldehyde; 3-Phenylpropylaldehyde; Hydrocinnamylaldehyde; 3-Phenylpropyl aldehyde; beta-Phenylpropionaldehyde; Propionaidehyde, 3-phenyl-; FEMA No. 2887; DTXSID0047610; NSC-9271; LP1E86N30T

Frequently Asked Questions

What are the CAS number and molecular formula of Phenylpropyl aldehyde (3-Phenylpropionaldehyde)?

CAS 104-53-0; molecular formula C9H10O; molecular weight 134.07 g/mol.

What other names is Phenylpropyl aldehyde (3-Phenylpropionaldehyde) known by?

3-Phenylpropanal, 104-53-0, Benzenepropanal, 3-Phenylpropionaldehyde, Hydrocinnamic aldehyde, 3-Phenyl-1-propanal.

What is the regulatory status of Phenylpropyl aldehyde (3-Phenylpropionaldehyde)?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Phenylpropyl aldehyde (3-Phenylpropionaldehyde) classified as hazardous?

Hazard statements reported: H315, H319.

What are the key physical properties of Phenylpropyl aldehyde (3-Phenylpropionaldehyde)?

Boiling Point: 97.00 to 98.00 °C. @ 12.00 mm Hg; Boiling Point: 222 °C; Melting Point: 47 °C; Density: 1.008-1.018.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.