Basic information
- CAS
86-75-9- Standard SMILES
O=C(Oc1cccc2cccnc12)c1ccccc1- InChIKey
BHKPHCKISVSDGV-UHFFFAOYSA-N- Molecular formula
- C16H11NO2
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.07897859
Overview
Benzoic acid 8-quinolinyl ester is a member of quinolines.
Names & identifiers
- Preferred name
- Benzoxiquine
- IUPAC
- quinolin-8-yl benzoate
- English name
- 8-HYDROXYQUINOLINE BENZOATE
- Molecular formula
- C16H11NO2
- Molecular weight
- 249.26
Names & synonyms
BENZOXIQUINE86-75-9PaverilBenzoxiquinaBenzoxiquinum8-Benzoyloxyquinoline8-Quinolinol, 8-benzoateNSC-3951DTXSID5046069GRE0P19C3ZNSC3951DTXCID3026069
Show more names
Quinolin-8-ylNSC 3951dioxyline8-QUINOLINOL BENZOATE
benzoxichinaRefChem:566442201-697-6quinolin-8-yl benzoateBenzoxyquineBenzoxyline8-Quinolinol, benzoate (ester)8-quinolyl benzoate
Database identifiers
- CAS
86-75-9- PubChem CID
- 6855
- DTXSID
DTXSID5046069- ChEMBL
CHEMBL1170610- ChEBI
CHEBI:93233- UNII
- GRE0P19C3Z
- EC Number
- 201-697-6
- Nikkaji
- J4.264A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Benzoxiquine) -> CIR (Cosmetic Ingredient Review)
Antimicrobial
Collision Cross Section
153.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
152.05 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 118 · 118-120°
- Boiling point
- 392.37 °C · 392.37°C (rough estimate)
- Density
- 1.1426 · 1.1426 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- Cosmetics Ingredients Functions
- ANTIMICROBIAL
- Cosmetic Ingredient Review (CIR)
- 8 · 8-HYDROXYQUINOLINE BENZOATE (86-75-9)
- LogP
- 3.3 · 3.300 (est)
- FDA 21 CFR
- 310.545 · 310.545
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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 8-Quinolinol, benzoate (ester)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Toxicity Summary
The safety of Benzoxiquine has not been documented and substantiated. The CIR Expert Panel cannot conclude that this ingredient is safe for use in cosmetic products until the appropriate safety data have been obtained and evaluated.
Ingredients for which the data are insufficient and their use in cosmetics is not supported
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Benzoxiquine
Use ClassificationCosmetics -> Antimicrobial
General Manufacturing Information8-Quinolinol, 8-benzoate: INACTIVE
Applications
UsesDisinfectant.
Suppliers11 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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