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woody cyclohexanone

Chemical Structure

General Material Information

Preferred name woody cyclohexanone
Trivial Name 4-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexanone
Short Description kephalis (Givaudan)
Formula C14 H24 O2
CAS Number 36306-87-3
ECHA Number 252-961-2
FDA UNII A27U1GP15P
Nikkaji Number J209.339A
Beilstein Number 2258311
xLogP3-AA 3.10 (est)
NMR Predictor External link
Synonyms
  • cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-
  • 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
  • 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexanone
  • 4-(1-ethoxyvinyl)-3,3,5,5-tetramethyl cyclohexanone
  • 4-(1-ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone
  • 3,3,5,5-etramethyl-4-ethoxyvinylcyclohexanone
  • kephalan
  • kephalis (Givaudan)
  • kephalor
  • tetrambrone (A.C.S. International)
  • 3,3,5,5-tetramethyl-4-(1-ethoxyvinyl) cyclohexanone
  • 3,3,5,5-tetramethyl-4-(1-ethoxyvinyl)-1-cyclohexanone
  • 3,3,5,5-tetramethyl-4-(1-ethoxyvinyl)cyclohexanone
  • 3,3,5,5-tetramethyl-4-ethoxyvinyl cyclohexanone
  • 3,3,5,5-tetramethyl-4-ethoxyvinylcyclohexanone
  • 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
  • 4-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexanone
  • Kephalis
  • LRG 1182
  • 4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone
  • 4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexan-1-one

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 224.34367370605
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 127.22 °C TCC
logP (o/w) 4.05 est
Solubility
alcohol Yes
water, 261 mg/L @ 20 °C (exp) Yes
Stability
alcoholic - good Unspecified
antiperspirant spray - poor Unspecified
APC (pH = 10) - moderate Unspecified
candles - good Unspecified
damp fabric - moderate Unspecified
dry fabric - moderate Unspecified
liquid bleach - poor Unspecified
pH = 2 - moderate Unspecified
powder detergent - moderate Unspecified
powder detergent + activator - moderate Unspecified
soap - good Unspecified
toiletries - good Unspecified

Organoleptic Properties

Odor Type: Woody
woody, woody old wood, amber, tobacco, herbal
Odor strength medium
Substantivity 96 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. woody old wood amber tobacco hot herbal
Kephalis is a very versatile and rich product, used as a long lasting heart/basic note. It blends well with floral notes (jasmine, rose, violet, lavender, etc.) as well as sophisticated amber, woody-aldehydic, tobacco and masculine creations. Rich, Warm, Woody, Ambery, Tobacco
Blends-well-with - +iso-E-Super Woody herbal character somewhat reminiscent of honey
The Scent and Chemistry authors point out that Kephalis, just like Cashmeran, is often a key component of synthetic reconstructions of agarwood. Rich, Warm, Woody, Ambery, Tobacco

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
10 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 835, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 835, 1982.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for woody cyclohexanone usage levels up to:
8.0000 % in the fragrance concentrate.
Recommendation for woody cyclohexanone flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):36306-87-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :118292
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
Chemidplus:0036306873