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2430-22-0 molecular structure
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7-methyloctan-1-ol

ChemBase ID: 174106
Molecular Formular: C9H20O
Molecular Mass: 144.2545
Monoisotopic Mass: 144.15141526
SMILES and InChIs

SMILES:
C(CCCCCCO)(C)C
Canonical SMILES:
OCCCCCCC(C)C
InChI:
InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKey:
QDTDKYHPHANITQ-UHFFFAOYSA-N

Cite this record

CBID:174106 http://www.chembase.cn/molecule-174106.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyloctan-1-ol
IUPAC Traditional name
7-methyl-1-octanol
Synonyms
7-Methyl-1-octanol
7-Methyloctanol
CAS Number
2430-22-0
PubChem SID
164230016
PubChem CID
17072

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M325655 external link Add to cart
PubChem 17072 external link
Data Source Data ID Price
TRC
M325655 external link Add to cart Please log in.
Data Source Data ID
PubChem 17072 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 2.8706157 
LogD (pH = 7.4) 2.8706157  Log P 2.8706157 
Molar Refractivity 45.0875 cm3 Polarizability 17.937511 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ether expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Clear Colourless Oil expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M325655 external link
7-Methyloctanol is used in the synthesis of the sex pheromone of Elater ferrugineus.

REFERENCES

REFERENCES

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  • • Iwanaga, S., et al.: Appl. Entomol. Zool., 35, 283 (2000)
  • • Larsson, M., et al.: J. Chem. Ecol., 29, 575 (2000)
  • • Toth, M., et al.: Pest Manag. Sci., 59, 417 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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