8-Chloro-1-octanol
- Iupac Name：8-chlorooctan-1-ol
- CAS No.: 23144-52-7
- Molecular Weight：164.673
- Modify Date.: 2022-11-24 05:47
- Introduction: Antifungal activity against Aspergillus niger, Trichoderma viride, Myrothecium verrucaria, Candida albicans, Trichophyton mentagrophytes, Mucor mucedo 8-Chloro-1-octanolSupplier
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1. Names and Identifiers
- 1.1 Name
- 8-Chloro-1-octanol
- 1.2 Synonyms
1-Chlorooctan-8-ol 1-Octanol, 8-chloro- 1-Octanol,8-chloro 8-CHLORO-11-OXYEN-10,11-2H-5-H-DIBENZO-[1,4]DIAZEPINE 8-CHLORO-1-OCTANOL 8-Chloro-1-n-octanol 8-chloro-1-octano 8-CHLORO-1-OCTANOL 8-Chlor-octan-1-ol 8-Chlor-octylalkohol 8-Chloro-octan-1-ol 8-CHLOROOCTAN-1-OL 8-CHLOROOCTANOL EINECS 245-451-6 MFCD00040005 NSC 5514
- 1.3 CAS No.
- 23144-52-7
- 1.4 CID
- 90012
- 1.5 EINECS(EC#)
- 245-451-6
- 1.6 Molecular Formula
- C8H17ClO (isomer)
- 1.7 Inchi
- InChI=1S/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
- 1.8 InChkey
- YDFAJMDFCCJZSI-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C(CCCCCl)CCCO
- 1.10 Isomers Smiles
- C(CCCCCl)CCCO
2. Properties
- 2.1 Density
- 0.976
- 2.1 Melting point
- -3
- 2.1 Boiling point
- 129-130℃ (11 mmHg)
- 2.1 Refractive index
- 1.4575-1.4595
- 2.1 Flash Point
- 113℃
- 2.1 Precise Quality
- 164.09700
- 2.1 PSA
- 20.23000
- 2.1 logP
- 2.55810
- 2.1 Solubility
- 0.89 g/L (25 C)
- 2.2 Appearance
- Clear colorless Liquid
- 2.3 Storage
- Ambient temperatures.
- 2.4 Chemical Properties
- clear colorless liquid
- 2.5 Color/Form
- Clear colorless
- 2.6 pKa
- 15.19±0.10(Predicted)
- 2.7 Water Solubility
- 0.89 g/L (25 C)
- 2.8 Stability
- Stable at normal temperatures and pressures.
- 2.9 StorageTemp
- Keep container tightly closed.
3. Use and Manufacturing
- 3.1 Produe Method
-
- 3.2 Usage
- Antifungal activity against Aspergillus niger, Trichoderma viride, Myrothecium verrucaria, Candida albicans, Trichophyton mentagrophytes, Mucor mucedo 8-Chloro-1-octanolSupplier
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S26;S37/39
- 4.1 Hazard Declaration
- H315
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
- 4.1 WGK Germany
- 3
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
23144-52-7Total: 5 Synthesis Route
9. Other Information
- 9.0 Manufacturing Info
- 1-Octanol, 8-chloro-: ACTIVE
10. Computational chemical data
- Molecular Weight: 164.673g/mol
- Molecular Formula: C8H17ClO
- Compound Is Canonicalized: True
- XLogP3-AA: 2.6
- Exact Mass: 164.0967929
- Monoisotopic Mass: 164.0967929
- Complexity: 57.2
- Rotatable Bond Count: 7
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 20.2
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBwIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIACAAACAOggEIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAgAAEAIBAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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