Benzoic acid, 4-((1-oxodecyl)oxy)-

HCID 3608562CAS 86960-46-5

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Basic information

Standard SMILES: CCCCCCCCCC(=O)Oc1ccc(C(=O)O)cc1
InChIKey: QTMHHQFADWIZCP-UHFFFAOYSA-N
Molecular formula: C17H24O4
Average molar mass: 292.4 g/mol
Monoisotopic mass: 292.16745925

Names & identifiers

Preferred name: Benzoic acid, 4-((1-oxodecyl)oxy)-
IUPAC: 4-decanoyloxybenzoic acid
English name: 4-Decanoyloxy benzoic acid
Molecular formula: C17H24O4
Molecular weight: 292.37

Names & synonyms

86960-46-5Benzoic acid, 4-[(1-oxodecyl)oxy]-EC 617-941-3Benzoic acid, 4-((1-oxodecyl)oxy)-Benzoic acid, 4-((1-oxodecyl) oxy)-Benzoic acid, 4-[(1-oxodecyl) oxy]-RefChem:565835617-941-34-decanoyloxybenzoic Acid4-(DECANOYLOXY)BENZOIC ACIDMFCD010996314-n-decanoyloxybenzoic acid

Show more names

4-Decanoyloxy benzoic acid

Benzoic acid, 4-( (1-oxodecyl) oxy)-p-decanoyloxybenzoic acidPara-Decanoyloxybenzoic AcidSCHEMBL1676854-n-nonylcarbonyloxybenzoic acidDTXSID603941344-(DECANOYLOXY)BENZOICACIDSBB056885

Database identifiers

CAS: 86960-46-5
PubChem CID: 3608562
DTXSID: DTXSID60394134
EC Number: 617-941-3
Nikkaji: J1.638.522K

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 21
Formal charge: 0
Complexity: 306

Physicochemical properties

Boiling point: 430 ℃[at · 430℃[at 101 325 Pa]
Density: 1.14 · 1.14[at 20℃]
vapor pressure: 0.001 Pa · 0.001Pa at 25℃
Water Solubility: 1.1 mg/L · 1.1mg/L at 20℃
LogP: 4 at · 4 at 20℃
EPA Substance Registry System: 4 · 4-Decanoyloxybenzoic acid (86960-46-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
TSCA: TSCA listed
REACH Registrations: Inactive