2-(Hexyloxy)benzaldehyde
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Basic information
- CAS
7162-59-6- Standard SMILES
CCCCCCOc1ccccc1C=O- InChIKey
IFOIDROUJIGQAV-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 2-(Hexyloxy)benzaldehyde
- IUPAC
- 2-hexoxybenzaldehyde
- English name
- 2-N-HEXYLOXYBENZALDEHYDE
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
2-(Hexyloxy)benzaldehyde7162-59-6o-Hexyloxybenzaldehyde2-n-Hexyloxybenzaldehyde2-hexoxybenzaldehydeMFCD00014131Benzaldehyde, 2-(hexyloxy)-2-hexyloxybenzaldehydehexyloxybenzaldehydeNSC62837SCHEMBL1509387SCHEMBL6223243
Show more names
TIMTEC-BB SBB007793
Benzaldehyde, o-(n-hexyloxy)-,DTXSID10221865NSC 62837NSC-62837SBB007793AKOS005291457AS-59998DB-055554
Database identifiers
- CAS
7162-59-6- PubChem CID
- 138951
- DTXSID
DTXSID10221865- Nikkaji
- J308.090K
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 132 · 132-134°C 0,5mm
- Density
- 1.0176 · 1.0176 (rough estimate)
- refractive index
- 1.52 · 1.5200
- Flash point
- 132 · 132-134°C/0.5mm
- Sensitive
- Air Sensitive
- BRN
- 2258613 · 2258613
- CAS DataBase Reference
- 7162 · 7162-59-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 24 · 24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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