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Basic Description
| Synonyms | NCGC00256691-01 | 3,7-Dimethyl-7-octen-1-ol | CAS-141-25-3 | Tox21_302625 | LMFA05000637 | FEMA 2980 | Q67879666 | DTXCID9027233 | DTXSID2047193 | .alpha.-Citronellol | Rhodinol | 3,7-Dimethyl-7-octen-1-ol-, (S)- | 7-OCTEN-1-OL, 3,7-DIMETHYL- | EINECS 205 |
|---|---|
| Specifications & Purity | ≥85%, mixture of L-citronellol and geraniol |
| Product Description |
Natural occurrence:Geranium and citronella oils. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty alcohols
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| 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 | Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - 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 | Not available |
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Names and Identifiers
| Pubchem Sid | 488190209 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190209 |
| IUPAC Name | 3,7-dimethyloct-7-en-1-ol |
| INCHI | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3 |
| InChIKey | JGQFVRIQXUFPAH-UHFFFAOYSA-N |
| Smiles | CC(CCCC(=C)C)CCO |
| Isomeric SMILES | CC(CCCC(=C)C)CCO |
| PubChem CID | 543323 |
| Molecular Weight | 156.27 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2318705 |
Certificate of Analysis | Mar 13, 2023 | R485524 |
| D2318909 |
Certificate of Analysis | Mar 13, 2023 | R485524 |
| D2318666 |
Certificate of Analysis | Mar 13, 2023 | R485524 |
| D2318702 |
Certificate of Analysis | Mar 13, 2023 | R485524 |
| D2318747 |
Certificate of Analysis | Mar 13, 2023 | R485524 |
| D2502084 |
Certificate of Analysis | Mar 13, 2023 | R485524 |
Chemical and Physical Properties
| Refractive Index | n20/D 1.469 (lit.) |
|---|---|
| Flash Point(°F) | 210.2 °F - closed cup |
| Flash Point(°C) | 99 °C - closed cup |
| Boil Point(°C) | 68-70℃/1.8mmHg (lit.) |
| Molecular Weight | 156.260 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 156.151 Da |
| Monoisotopic Mass | 156.151 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 107.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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