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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.

Specifications

CAS Number104-53-0
Molecular FormulaC9H10O
Molecular Weight134.07 g/mol
Melting Point47 °C
Boiling Point97.00 to 98.00 °C. @ 12.00 mm Hg
LogP1.3

Purchase 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.

PubChem Public Data

Public-database records for Phenylpropyl aldehyde (3-Phenylpropionaldehyde) (CAS 104-53-0), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH315 (100%), H319 (100%)

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

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

Regulatory listings

Regulatory & Food ContactEU 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

Physical description and 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]

Reported physical properties

沸点97.00 to 98.00 °C. @ 12.00 mm Hg
沸点222 °C
熔点47 °C
密度1.008-1.018
折射率1.518-1.528

How this substance is indexed

CAS Registry Number104-53-0
PubChem CID7707
分子式C9H10O
分子量134.07 g/mol
IUPAC 名称3-phenylpropanal
InChIKeyYGCZTXZTJXYWCO-UHFFFAOYSA-N
UNII（FDA）LP1E86N30T
ChEBI 编号CHEBI:39940
FEMA 编号2887
JECFA 编号645

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:

Names this substance appears under

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

Computed molecular descriptors

分子量134.17
XLogP31.3
氢键供体数0
氢键受体数1
可旋转键数3
精确质量134.073164938
单同位素质量134.073164938
拓扑极性表面积17.1
重原子数10
形式电荷0

Database abstract

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. 沸点: 97.00 to 98.00 °C. @ 12.00 mm Hg; 沸点: 222 °C; 熔点: 47 °C.

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

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