ChemicalBook--->CAS DataBase List--->4695-62-9

4695-62-9

4695-62-9 Structure

4695-62-9 Structure
IdentificationBack Directory
[Name]

(-)-FENCHONE
[CAS]

4695-62-9
[Synonyms]

FENCHONE
L-FENCHONE
fenchanone
2-fenchanone
(-)-FENCHONE
(S)-Fenchone
(1S)-Fenchone
L(-)-FENCHONE
FENCHONE, (-)-
ALPHA-FENCHONE
L-ALPHA-FENCHONE
(S)-(+)-Fenchone
(1S,4R)-fenchone
(1R)-(-)-FENCHONE
D(+)-Fenchone,97%
d-FENCHONE, NATURAL
D(+)-Fenchone, 97% 25GR
D(+)-Fenchone, 97% 100GR
d-1,3,3-Trimethyl-2-norbornanone
d-1,3,3-Trimethyl-2-norcamphanone
(-)-1,3,3-TRIMETHYL-2-NOEBORNANOL
(-)-1,3,3-TRIMETHYL-2-NORBORNANONE
L(-)-1,3,3-TRIMETHYL-2-NORBORBANONE
(1S)-1,3,3-trimethyl-norbornan-2-one
1,3,3-trimethyl-,(1r,4s)-(+)-2-norbornanon
3,3-trimethyl-(1s)-bicyclo(2.2.1)heptan-2-on
3,3-trimethyl-(1s)-bicyclo[2.2.1]heptan-2-on
D(+)-1,3,3-Trimethylbicylo[2.2.1]heptan-2-one
2-Norbornanone, 1,3,3-trimethyl-, (1R,4S)-(+)-
2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)-
L(-)-1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-ONE
(1R)-1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-ONE
LAEVO-1,3,3-TRIMETHYLBICYCLO[2.2.1]-2-HEPTANONE
1,3,3-trimethyl-,(1S)-Bicyclo[2.2.1]heptan-2-one
Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1R)-
Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S)-
Bicyclo2.2.1heptan-2-one, 1,3,3-trimethyl-, (1S,4R)-
(+)-Fenchone purum, >=98.0% (sum of enantiomers, GC)
(+)-1,3,3-Trimethyl-2-norbornanone, (1S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one
(+)-Fenchone,(+)-1,3,3-Trimethyl-2-norbornanone, (1S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one
[EINECS(EC#)]

232-107-5
[Molecular Formula]

C10H16O
[MDL Number]

MFCD00151104
[MOL File]

4695-62-9.mol
[Molecular Weight]

152.23
Chemical PropertiesBack Directory
[Appearance]

clear colorless to pale yellow liquid
[Melting point ]

5-6 °C(lit.)
[alpha ]

D20 +66.9°
[Boiling point ]

192-194 °C(lit.)
[density ]

0.948 g/mL at 25 °C(lit.)
[FEMA ]

2479 | D-FENCHONE
[refractive index ]

n20/D 1.461(lit.)
[Fp ]

127 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless to pale yellow
[Odor]

at 100.00 %. camphor thuja cedarleaf herbal earthy woody
[Odor Type]

balsamic
[Optical Rotation]

[α]20/D +62±1°, neat
[Water Solubility ]

2.147g/L(25 ºC)
[JECFA Number]

1396
[Merck ]

14,3968
[BRN ]

2206555
[Dielectric constant]

12.0(20℃)
[Major Application]

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
[InChIKey]

LHXDLQBQYFFVNW-XCBNKYQSSA-N
[SMILES]

CC1(C)[C@@H]2CC[C@@](C)(C2)C1=O
[LogP]

2.089 (est)
[EPA Substance Registry System]

Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S,4R)- (4695-62-9)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to pale yellow liquid
[Definition]

ChEBI: A fenchone that has 1S,4R stereochemistry. A colourless, oily liquid found in fennel oil, it is used in perfumery and as flavour in foods.
[Uses]

As flavor in foods; in perfumes.
[Description]

d-Fenchone has a camphor-like odor, powerful and sweet, and a warm, somewhat bitter, burning taste. d-Fenchone is isolated from cedarleaf oil (thuja oil).
[Occurrence]

Reported found in several essential oils: Thuja plicata, Thuja occidentalis, Thuja standishii, Russian anise, fennel, a few Artemisia varieties (A frigida, A verlotorum, A santolinaefolia), Lavanda stoechas, Lavanda burmannii, and others; the highest levels are found in fennel oil (12 to 19%); two optically active forms have been isolated Also reported found in basil, caraway, cedar leaf oil, cloves, dill, licorice and thyme
[Preparation]

Isolated from cedarleaf oil (thuja oil).
[Aroma threshold values]

Detection: 510 ppb; aroma characteristics at 1.0%: cooling camphoreous, terpy, spicy, sweet mentholic pine-like.
[Taste threshold values]

Taste characteristics at 5 ppm: cooling camphoreous, with green citrus lime nuances.
[General Description]

Produced and qualified by HWI pharma services GmbH.
Exact content by quantitative NMR can be found on the certificate.
[Purification Methods]

The oily liquid is purified by distillation in a vacuum and is very soluble in EtOH and Et2O. [Boyle et al. J Chem Soc, Chem Commun 395 1971, Hückel Justus Liebigs Ann Chem 549 186 1941, (±)-isomer: Braun & Jacob Chem Ber 66 1461 1933.] It forms two oximes, cis-oxime: m 167o (crystallises from pet ether) [] D +46.5o (c 2, EtOH), O-benzoyloxime m 81o, [] D +49o
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Danger
[Hazard statements ]

H226
[Precautionary statements ]

P210-P240-P241-P280a-P303+P361+P353-P501a
[Risk Statements ]

10
[Safety Statements ]

23-24/25
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

3
[RTECS ]

RB7875200
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29142990
[Storage Class]

10 - Combustible liquids
[Toxicity]

LD50 orally in rats: 6.16 g/kg (Jenner)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-Ethylfenchol-->(+)-Fenchol
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-FENCHONE(4695-62-9)MS
(-)-FENCHONE(4695-62-9)1HNMR
(-)-FENCHONE(4695-62-9)13CNMR
(-)-FENCHONE(4695-62-9)IR1
(-)-FENCHONE(4695-62-9)Raman
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