Benzaldehyde, 2,4-dihydroxy-5-hexyl-
Basic information
- CAS
37470-87-4- Standard SMILES
CCCCCCc1cc(C=O)c(O)cc1O- InChIKey
UBCGVJPYIHKJRH-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Benzaldehyde, 2,4-dihydroxy-5-hexyl-
- IUPAC
- 5-hexyl-2,4-dihydroxybenzaldehyde
- English name
- 2,4-Dihydroxy-5-hexylbenzaldehyde
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
2,4-Dihydroxy-5-hexylbenzaldehyde37470-87-4BRN 3290599BENZALDEHYDE, 2,4-DIHYDROXY-5-HEXYL-DTXSID001909104-08-00-01895 (Beilstein Handbook Reference)RefChem:561318DTXCID40113401667-405-85-hexyl-2,4-dihydroxybenzaldehydeCBDivE_015889SCHEMBL1527130
Show more names
Benzaldehyde, 5-hexyl-2,4-dihydroxy-
UBCGVJPYIHKJRH-UHFFFAOYSA-N5-hexyl-2,4-dihydroxy-benzaldehydeSTL102632AKOS001030198NCGC00324501-01DB-129341CS-0327528AB00074668-01
Database identifiers
- CAS
37470-87-4- PubChem CID
- 37737
- DTXSID
DTXSID00190910- EC Number
- 667-405-8
- Nikkaji
- J68.012E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 379.3 · 379.3±27.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- pka
- 8.22 · 8.22±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H317-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Suppliers
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Related reactions
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Compound notes
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