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General Material Information

Preferred name isolongifolene ketone
Trivial Name 1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
Short Description piconia (IFF)
Formula C15 H24 O
CAS Number 23787-90-8
Deleted CAS Number 33407-62-4
ECHA Number 245-890-3
FDA UNII 5916QUE93V
Nikkaji Number J195.737F
xLogP3-AA 4.00 (est)
NMR Predictor External link
Synonyms
  • ecotone 101
  • (2a,4aa,8a)- hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
  • (2alpha,4aalpha,8abeta)- hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
  • 1,3,4,6,7,8a- hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
  • 1,3,4,6,7,8a- hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanophtalen-8(5H)-one + epimer
  • 1,3,4,6,7,8a- hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanophtalen-8(5H)-one+epim
  • 1,3,4,6,7,8alpha- hexahydro-1,1,5,5-tetramethyl-2H-2,4alpha-methanophtalen-8(5H)-one
  • ketone patchouli (A.C.S. International)
  • iso longifolanone
  • iso longifolanone 70%
  • iso longifolanone 80%
  • iso longifolene ketone
  • 2H-2,4a- methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-
  • 2H-2,4a- methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-
  • piconia (IFF)
  • keto sesquine
  • 2,2,7,7-tetramethyl tricyclo(6.2.1.0∼1,6∼)undecan-5-one
  • 2,2,7,7-tetramethyltricyclo(6.2.1.0(1,6))-undecan-5-one
  • tetramethyltricyclo[6.2.1.01,6]undecan-5-one
  • 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one
  • valanone B
  • 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one
  • 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-
  • 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-
  • 1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
  • 1,3,4,6,7,8a-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanophtalen-8(5H)-one
  • 1,3,4,6,7,8-Alpha-hexahydro-1,1,5,5-tetramethyl-2H-2,4-alpha-methanophthalen-8(5H)-one
  • Isolongifolanone
  • 1,3,4,6,7,8α-Hexahydro-1,1,5,5-tetramethyl-2H-2,4α-methanophtalen-8(5H)-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
Export Tariff Code:2914.29.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 220.35548400879
Specific gravity @ 20 °C
Pounds per Gallon 8.414 to 8.481
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 93.89 °C TCC
logP (o/w) 4.5
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 18.94 mg/L @ 25 °C (est) Yes
water No
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Woody
dry, woody, patchouli, cedar, earthy, tobacco, incense
Odor strength medium
Substantivity 240 hour(s) at 100.00 %
Luebke, William tgsc, (1984) At 100.00 %. dry woody patchouli cedar earthy tobacco incense
General comment A dry, diffusive, woody, earthy, pine, patchouli note. Long lasting
Isolongifolanone has a fresh woody note, dry and diffusive with rich amber quality. Fresh woody note, dry and diffusive with rich amber quality
The material has both top-note and base-note effects and contributes vitality to perfume compositions. Arcadi Boix Camps described this material, in 1978, as “strong fresh and radiant … of immense olfactory value” and says it is “absolutely necessary in the perfumer’s choice of materials” Warm-woody, dry-vetiver, earthy-patchouli, tobacco, amber

Occurrences

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.
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 isolongifolene ketone usage levels up to:
15.0000 % in the fragrance concentrate.
Recommendation for isolongifolene ketone 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):23787-90-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :90978
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one
Chemidplus:0023787908