-
Name
2-Heptylphenol
- EINECS
- CAS No. 5284-22-0
- Article Data7
- CAS DataBase
- Density 0.946g/cm3
- Solubility 11.76mg/L(25 oC)
- Melting Point 24°C (estimate)
- Formula C13H20O
- Boiling Point 287.8°Cat760mmHg
- Molecular Weight 192.301
- Flash Point 153°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms n-heptyl phenol;2-Hydroxy-1-heptyl-benzol;n-Heptyl-Phenol;heptylphenol;O-HEPTYLPHENOL;2-heptylphenol;2-Heptyl-phenol;
- PSA 20.23000
- LogP 3.90510
o-Heptylphenol Chemical Properties
Product Name: o-Heptylphenol (CAS NO.5284-22-0)
Molecular Formula: C13H20O
Molecular Weight: 192.33g/mol
Mol File: 5284-22-0.mol
Boiling point: 287.8 °C at 760 mmHg
Flash Point: 153 °C
Density: 0.946 g/cm3
Surface Tension: 36 dyne/cm
Enthalpy of Vaporization: 54.82 kJ/mol
Vapour Pressure: 0.0014 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of o-Heptylphenol (CAS NO.5284-22-0):
IUPAC Name: (2,6-dimethoxyphenyl)-piperidin-1-ylmethanone
Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)N2CCCCC2
InChI: InChI=1S/C14H19NO3/c1-17-11-7-6-8-12(18-2)13(11)14(16)15-9-4-3-5-10-15/h6-8H,3-5,9-10H2,1-2H3
InChIKey: PUCATIHEPDIDJQ-UHFFFAOYSA-N
o-Heptylphenol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 2750mg/kg (2750mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 218, 1935. |
o-Heptylphenol Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
o-Heptylphenol Standards and Recommendations
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
o-Heptylphenol Specification
o-Heptylphenol , its CAS NO. is 5284-22-0, the synonyms are 2-Heptylphenol ; 4-06-00-03453 (Beilstein Handbook Reference) ; BRN 2253374 ; o-n-Heptylphenol ; Phenol, 2-heptyl- (9CI) .
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View