4-Phenylbutanal
Basic information
- CAS
18328-11-5- 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 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Upstream & downstream products
Downstream products
Related reactions
45 records
Compound notes
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