4-Phenylbutanal

HCID 29030CAS 18328-11-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=CCCCc1ccccc1
InChIKey: NHFRGTVSKOPUBK-UHFFFAOYSA-N
Molecular formula: C10H12O
Average molar mass: 148.2 g/mol
Monoisotopic mass: 148.088815

Names & identifiers

Preferred name: 4-Phenylbutanal
IUPAC: 4-phenylbutanal
English name: 4-Phenylbutanal
Molecular formula: C10H12O
Molecular weight: 148.2

Names & synonyms

4-Phenylbutanal18328-11-5Benzenebutanal4-PhenylbutyraldehydeButyraldehyde, 4-phenyl-gamma-Phenylbutyraldehyde.gamma.-PhenylbutyraldehydeDTXSID80171404RefChem:100366DTXCID0093895686-906-2NHFRGTVSKOPUBK-UHFFFAOYSA-N

Show more names

γ-Phenylbutyraldehyde4-phenylbutylaldehydePHENYLBUTYRALDEHYDE(4-)

4-phenyl-butyraldehydeMFCD00800383BenzenebutyraldehydePHENETHYL ACETALDEHYDEphenylpropylketonephenethylacetaldehyde4-phenylbutyraldehye4-phenyl-1-butanal

Database identifiers

CAS: 18328-11-5
PubChem CID: 29030
DTXSID: DTXSID80171404
EC Number: 686-906-2
Nikkaji: J82.733I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 103

Physicochemical properties

Melting point: 45 · 45-48 °C
Boiling point: 102 · 102-103 °C(Press: 12 Torr)
Density: 1.002 g/cm3 · 1.002 g/cm3(Temp: 19 °C)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Phenylbutanal (cas# 18328-11-5) is a useful reactant for the synthesis of latanoprost via organocatalyzed [3+2]-cycloaddition. Latanoprost is a medication used to treat increased pressure inside the eye