1-(3,4-Dihydroxyphenyl)-1-decanone
Basic information
- CAS
2754-54-3- Standard SMILES
CCCCCCCCCC(=O)c1ccc(O)c(O)c1- InChIKey
MAAOXUGFTUYHFV-UHFFFAOYSA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Names & identifiers
- Preferred name
- 1-(3,4-Dihydroxyphenyl)-1-decanone
- IUPAC
- 1-(3,4-dihydroxyphenyl)decan-1-one
- English name
- SALOR-INT L498807-1EA
- Molecular formula
- C16H24O3
- Molecular weight
- 264.36
Names & synonyms
1-(3,4-DIHYDROXYPHENYL)-1-DECANONERefChem:4228352754-54-3658-307-61-(3,4-dihydroxyphenyl)decan-1-oneAKOS024365825ST50999016SALOR-INT L498807-1EA
Database identifiers
- CAS
2754-54-3- PubChem CID
- 3360022
- EC Number
- 658-307-6
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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