Introduction：Basic information about CAS 4695-62-9|1,3,3-Trimethyl-2-norbornanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
(+)-Fenchone exists in fennel seed oil (Foenicufum vulgare Mill.) and in the oil of Lavandula stoechas. Fenchone is used as a flavor in foods and in perfumery[1].
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In Vitro
(+)-Fenchone is one enantiomer of Fenchone occur in a number of essential oils[1].
References
[1]. Uzi Ravid, et al. Chiral gc analysis of enantiomerically pure fenchone in essential oils.
Chemical & Physical Properties
Density
1.0±0.1 g/cm3
Boiling Point
193.5±0.0 °C at 760 mmHg
Melting Point
5-6ºC(lit.)
Molecular Formula
C10H16O
Molecular Weight
152.233
Flash Point
69.3±10.7 °C
Exact Mass
152.120117
PSA
17.07000
LogP
2.13
Vapour Pressure
0.5±0.3 mmHg at 25°C
Index of Refraction
1.485
InChIKey
LHXDLQBQYFFVNW-XCBNKYQSSA-N
SMILES
CC12CCC(C1)C(C)(C)C2=O
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
RB7875200
CHEMICAL NAME :
2-Norbornanone, 1,3,3-trimethyl-, (1R,4S)-(+)-
CAS REGISTRY NUMBER :
4695-62-9
LAST UPDATED :
199707
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H16-O
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6160 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity)
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
For therapeutical purposes, fennel (Foeniculum vulgare Mill.), an important aromatic plant, is used for its expectorant, antispasmodic, carminative and diuretic properties. The chemical composition, e...
Biosynthesis of monoterpenes: conversion of the acyclic precursors geranyl pyrophosphate and neryl pyrophosphate to the rearranged monoterpenes fenchol and fenchone by a soluble enzyme preparation from fennel (Foeniculum vulgare).
Arch. Biochem. Biophys. 200(2) , 524-33, (1980)
Kinetics and mechanisms of the tropospheric reactions of menthol, borneol, fenchol, camphor, and fenchone with hydroxyl radicals (OH) and chlorine atoms (Cl).
J. Phys. Chem. A 116(16) , 4097-107, (2012)
Relative kinetic techniques have been used to measure the rate coefficients for the reactions of oxygenated terpenes (menthol, borneol, fenchol, camphor, and fenchone) and cyclohexanol with hydroxyl r...
