Phenylpropyl aldehyde (3-Phenylpropionaldehyde)

CAS 104-53-0C9H10OMW 134.07 g/mol

Phenylpropyl aldehyde (3-Phenylpropionaldehyde) (CAS 104-53-0) — formula C9H10O, molecular weight 134.07 g/mol.

Product Overview

CAS Number	104-53-0
Molecular Formula	C9H10O
Molecular Weight	134.07 g/mol
Melting Point	47 °C
Boiling Point	97.00 to 98.00 °C. @ 12.00 mm Hg
LogP	1.3
Applications	Uses: Used as a flavoring agent, [FDA], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 1 consumer products that contain Hydrocinnamaldehyde in the following categories is provided:, • Auto Products, General Manufacturing Information: Benzenepropanal: ACTIVE, Propanal, phenyl-: INACTIVE

Applications

Documented applications: Uses: Used as a flavoring agent, [FDA], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 1 consumer products that contain Hydrocinnamaldehyde in the following categories is provided:, • Auto Products, General Manufacturing Information: Benzenepropanal: ACTIVE, Propanal, phenyl-: INACTIVE.

Technical Profile

What this product is

Phenylpropyl aldehyde (3-Phenylpropionaldehyde) is a chemical compound with CAS registry number 104-53-0 and molecular formula C9H10O (molecular weight 134.07 g/mol).

Identification

CAS number: 104-53-0

Its molecular formula C9H10O comprises 9 C, 10 H, 1 O atoms.

Also known as: Phenylpropyl aldehyde (3-Phenylpropionaldehyde) · 3-Phenylpropionaldehyde

Frequently Asked Questions

What is the CAS number of Phenylpropyl aldehyde (3-Phenylpropionaldehyde)?

The CAS registry number of Phenylpropyl aldehyde (3-Phenylpropionaldehyde) is 104-53-0.

What is the molecular formula and molecular weight of Phenylpropyl aldehyde (3-Phenylpropionaldehyde)?

Molecular formula C9H10O, molecular weight 134.07 g/mol.

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

It is also registered under: Phenylpropyl aldehyde (3-Phenylpropionaldehyde), 3-Phenylpropionaldehyde.

What are the documented applications of Phenylpropyl aldehyde (3-Phenylpropionaldehyde)?

Recorded applications: Uses: Used as a flavoring agent, [FDA], Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 1 consumer products that contain Hydrocinnamaldehyde in the following categories is provided:, • Auto Products, General Manufacturing Information: Benzenepropanal: ACTIVE, Propanal, phenyl-: INACTIVE.

PubChem Public Data

Independent reference data for Phenylpropyl aldehyde (3-Phenylpropionaldehyde) (CAS 104-53-0), compiled from public chemistry databases.

Registry identifiers across databases

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

Physicochemical values on record

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

Documented uses on record

Synonyms and trade names

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

Regulatory listings held on file

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%)

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

What the public record says

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.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.