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(S)-1-Octen-3-ol（mixture of enantiomers） - 95%, high purity , CAS No.24587-53-9
Basic Description
Synonyms
S-(+)-1-Octen-3-ol | UNII-07D31239FH | (S)-(+)-1-Octen-3-ol | SCHEMBL5804837 | Q27093997 | (S)-1-Octen-3-ol | CHEBI:46735 | 07D31239FH | (S)-1-Octen-3-ol, >=95% (sum of enantiomers, GC) | 1-Octen-3-ol,(3S)- | 1-Octen-3-ol, (+)- | (3S)-oct-1-en-3-ol | (S)-
Specifications & Purity
≥95%
Storage Temp
Argon charged
Shipped In
Normal
Product Description
Description
(S)-1-Octen-3-ol can be used:As an odorant in the study of an olfactory sensory map of theAnopheles gambiaemaxillary palp.As an intermediate in the synthesis of natural product polyporolide and a prostaglandin named 8-aza-prostaglandin E1.As a substrate in the preparation of trienols by reacting with 1-iodo-1,3-dienes using Pd(OAc)2/AgOAc.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty alcohols
Intermediate Tree Nodes
Not available
Direct Parent
Fatty alcohols
Alternative Parents
Secondary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
External Descriptors
Hydroxy fatty acids
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488192317
IUPAC Name
(3S)-oct-1-en-3-ol
INCHI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1
InChIKey
VSMOENVRRABVKN-MRVPVSSYSA-N
Smiles
CCCCCC(C=C)O
Isomeric SMILES
CCCCC[C@@H](C=C)O
WGK Germany
3
Molecular Weight
128.21
Reaxy-Rn
1720733
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720733&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air sensitive
Flash Point(°F)
154.4 °F
Flash Point(°C)
68 °C
Molecular Weight
128.210 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
5
Exact Mass
128.12 Da
Monoisotopic Mass
128.12 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
69.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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