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4-Methyl-3-heptanol

CAT: 0804-HY-W335674Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W335674Size:1 Each
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Description
4-Methyl-3-heptanol, a fatty alcohol compound, is alarm pheromones of ants[1].
CAS Number
14979-39-6
UNSPSC
12352211
Hazard Statement
H225, H315, H319, H335
Target
Others
Related Pathways
Others
Field of Research
Others
Purity
97.0
Smiles
CCCC(C)C(CC)O
Molecular Formula
C8H18O
Molecular Weight
130.23
Precautions
H225, H315, H319, H335
References & Citations
[1]Lopes LE, et al. The Alarm Pheromone and Alarm Response of the Clonal Raider Ant. J Chem Ecol. 2023 Feb;49 (1-2) :1-10.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

4-Methyl-3-heptanol

4-methyl-3-heptanol has been reported in Leiobunum townsendi with data available.

CAS Number14979-39-6
PubChem CID26989
IUPAC Name4-methylheptan-3-ol
Molecular FormulaC8H18O
Molecular Weight130.23
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity61
SMILES
CCCC(C)C(CC)O
InChI
InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3
InChIKey
BKQICAFAUMRYLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-3-heptanol
CAS: 14979-39-6
CID: 26989
Formula: C8H18O
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass130.135765193
Monoisotopic Mass130.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity61.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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