5-Butyl-2-hydroxybenzaldehyde
Basic information
- CAS
77635-19-9- Standard SMILES
CCCCc1ccc(O)c(C=O)c1- InChIKey
RMXFTNYYIDMHAB-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 5-Butyl-2-hydroxybenzaldehyde
- IUPAC
- 5-butyl-2-hydroxybenzaldehyde
- English name
- 5-Butyl-2-hydroxybenzaldehyde
- Molecular formula
- C11H14O2
- Molecular weight
- 178.22766
Names & synonyms
5-butyl-2-hydroxybenzaldehyde77635-19-9Benzaldehyde, 2-hydroxy, 5-butylSCHEMBL305915RMXFTNYYIDMHAB-UHFFFAOYSA-NSTX105018AKOS022639985DB-129289G54563EN300-1276836Z1504264331
Database identifiers
- CAS
77635-19-9- PubChem CID
- 6429809
- EC Number
- 190-766-3
- Nikkaji
- J2.697.308B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- form
- solid
- InChIKey
- RMXFTNYYIDMHAB-UHFFFAOYSA-N
- SMILES
- CCCCC1=CC(C=O)=C(O)C=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
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
- wgk
- WGK 3
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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