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herbal undecanone

Chemical Structure

General Material Information

Preferred name herbal undecanone
Trivial Name Octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one
Short Description octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one
Formula C12 H18 O
CAS Number 41724-19-0
ECHA Number 255-517-6
FDA UNII Search
Nikkaji Number J278.256A
xLogP3-AA 2.80 (est)
NMR Predictor External link
Synonyms
  • 1,4-methanonaphthalen-6(2H)-one, octahydro-7-methyl-
  • 7-methyl octahydro-1,4-methanonaphthalen-6-one
  • 4-methyl tricyclo(6.2.1.0)undecan-5-one
  • 7-methyl-octahydro-1,4-methano-naphthalen-6-one
  • 7-methyloctahydro-1,4-methanonaphthalen-6-one
  • 5-methyltricyclo[6.2.1.02,7]undecan-4-one
  • octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one
  • octahydromethyl methanonaphthalenone
  • plicatone (Firmenich)
  • herbal undecanone (plicatone)
  • 1,4-Methanonaphthalen-6(2H)-one, octahydro-7-methyl-
  • 5-Methyl-4-oxotricyclo[6.2.1.02,7]undecane
  • 5-Methyltricyclo[6.2.1.02,7]undecan-4-one
  • Octahydro-7-methyl-1,4-methanonaphthalene-6(2H)-one
  • Plicatone
  • 7-Methyloctahydro-1,4-methanonaphthalen-6(2H)-one
  • Plicaton

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:41724-19-0
Pubchem (cid):162481
Pubchem (sid):135117199
Publications by US Patents
4,003,935 - 7-Methyl-octahydro-1,4-methano-naphthalen-6-one

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 178.27465820312
Boiling Point 271 to 272°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.007 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.08 est
Solubility
alcohol Yes
water, 450.4 mg/L @ 25 °C (est) Yes
Stability
APC: traces - 1% Unspecified
candle: traces - 1% Unspecified
detergent: traces - 1% Unspecified
fine fragrances: traces - 0.5% Unspecified
shampoo: traces - 1% Unspecified
shower gel: traces - 1% Unspecified
soap: traces - 1% Unspecified
softener: traces - 1% Unspecified

Organoleptic Properties

Odor Type: Herbal
natural, herbal, woody, fruity, absinthe, pine, juniper, cedar, raspberry
Odor strength medium
Substantivity 48 hour(s) at 100.00 %
General comment At 100.00 %. natural herbal woody fruity absinthe pine juniperberry cedar raspberry
Combines with interesting effects in fougere, lavender, pine and spicy notes. With woody notes it helps to lift the perfume and with mossy materials it gives a natural freshness. Natural smooth herbal, aromatic, woody and fruity note. PLICATONE recalls artemisia, pine, juniper berry and cedar with an appealing, slightly fruity undertone
General comment
Odor Type: Absinthe

Potential Uses

Applications
Odor purposes Amber, Cedar, Fern, Herbal, Juniper, Lavender, Oriental, Pine, Spice, Woody, Wormwood oil replacer
Cosmetic purposes Perfuming agents

Safety Information

Safety information

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.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
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 herbal undecanone usage levels up to:
1.0000 % in the fragrance concentrate.
Recommendation for herbal undecanone 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):41724-19-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :162481
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
octahydro-7-methyl-1,4-methanonaphthalen-6(2H)-one
Chemidplus:0041724190