Phytone - CAS 502-69-2
Catalog:
BB026985
Product Name:
Phytone
CAS:
502-69-2
Synonyms:
6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethylpentadecan-2-one
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BB026985
100 mg
$399
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IUPAC Name: 6,10,14-trimethylpentadecan-2-one
Description: Hexahydrofarnesyl acetone is a fragnance agent commonly used in jasmine compositions.
Molecular Weight: 268.48
Molecular Formula: C18H36O
Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=O)C
InChI: InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
InChI Key: WHWDWIHXSPCOKZ-UHFFFAOYSA-N
Boiling Point: 109-112 °C (0.2 mmHg), 295-296 °C (708 mmHg)
Melting Point: 129-136 °C
Purity: > 98 %
Density: 0.828 g/cm3
Solubility: Soluble in Chloroform,Dichloromethanole,Ethyl Acetate,DMSO,Acetone,etc.
Appearance: Colorless liquid
MDL: MFCD00065420
LogP: 6.01450
GHS Hazard Statement: H400 (69.84%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement: P273, P391, and P501
Signal Word: Warning
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DE-102019128233-A1 Device for setting the blade angle of the rotor blades of a wind turbine 20191018
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PMID Publication Date Title Journal
22908592 20120701 Chemical constituents and antioxidant and biological activities of the essential oil from leaves of Solanum spirale Natural product communications
22555293 20120503 Chemical composition, antimicrobial and antitumor activities of the essential oils and crude extracts of Euphorbia macrorrhiza Molecules (Basel, Switzerland)
22310841 20120501 Chemical composition and in vitro cytotoxic, genotoxic effects of essential oil from Urtica dioica L Bulletin of environmental contamination and toxicology
22476958 20120401 Females of the bumblebee parasite, Aphomia sociella, excite males using a courtship pheromone Journal of chemical ecology
22349896 20120220 Volatile organic compounds from Centaurium erythraea Rafn (Croatia) and the antimicrobial potential of its essential oil Molecules (Basel, Switzerland)
Complexity: 220
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 268.276615768
Formal Charge: 0
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 268.276615768
Rotatable Bond Count: 12
Topological Polar Surface Area: 17.1 Å2
Undefined Atom Stereocenter Count: 2
Undefined Bond Stereocenter Count: 0
XLogP3: 6.9
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