hexahydrotetramethyl methanonaphthalen-8-one
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one
 
Notes:
None found
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CAS Number: 29461-13-0Picture of molecule3D/inchi
Other(deleted CASRN): 26839-48-5
ECHA EINECS - REACH Pre-Reg: 249-648-8
Nikkaji Web: J195.737F
XlogP3-AA: 4.00 (est)
Molecular Weight: 220.35548000
Formula: C15 H24 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 85.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 1.00000 to 1.01000 @  20.00 °C.
Pounds per Gallon - (est).: 8.331 to  8.414
Refractive Index: 1.50000 to 1.50800 @  20.00 °C.
Boiling Point: 286.00 to  287.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.003000 mmHg @ 25.00 °C. (est)
Flash Point: 248.00 °F. TCC ( 119.70 °C. )
logP (o/w): 4.175 (est)
Soluble in:
 alcohol
 water, 18.94 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: woody
 
 woody  patchouli  
Odor Description:
at 100.00 %. 
woody patchouli
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
 None found
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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.
Human Experience:
Undiluted liquid may cause skin and eye irritation
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for hexahydrotetramethyl methanonaphthalen-8-one usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for hexahydrotetramethyl methanonaphthalen-8-one flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene-10-one
Chemidplus: 0029461130
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References:
 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene-10-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 29461-13-0
Pubchem (cid): 90978
Pubchem (sid): 135049532
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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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(2a,4aa,8a)-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
(2alpha,4aalpha,8beta)-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
isolongifolanone
isolongifolene ketone exo
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-
2,2,7,7-tetramethyltricyclo(6.2.1.0(1,6))-undecan-5-one
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undecan-5-one
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