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General Material Information

Preferred name tobacarol (IFF)
Trivial Name 4,9,12,12-Tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane
Short Description tetramethyl-5-oxatricyclododecane
Formula C15 H26 O
CAS Number 1209-61-6
ECHA Number 214-906-0
FDA UNII Search
Nikkaji Number J217.062K
xLogP3-AA 4.20 (est)
NMR Predictor External link
Synonyms
  • 5,6-epoxy-2,6,10,10-tetramethyl bicyclo(7.2.0)undecane
  • 4,9,12,12-t etramethyl-5-oxatricyclo[8.2.0.04,6]dodecane
  • tabac dodecane
  • 4,9,12,12-tetramethyl-5-oxatricyclo(8.2.0.04,6)dodecane
  • tetramethyl-5-oxatricyclododecane
  • tobacco dodecane
  • 5-oxa tricyclo(8.2.0.04,6)dodecane, 4,9,12,12-tetramethyl-
  • 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane
  • 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,9,12,12-tetramethyl-
  • Dihydroisocaryophyllene epoxide
  • 5,6-Epoxy-2,6,10,10-tetramethylbicyclo[7.2.0]undecane
  • 4,9,12,12-Tetramethyl-5-oxatricyclo[8.2.0.0(4,6)]dodecane

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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:2910.90.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 222.37141418457
Boiling Point 262 to 263°C @ 760 mm Hg
Vapor Pressure 0.017 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 5.47
Shelf life 36 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, 2.128 mg/L @ 25 °C (est) Yes
water No
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Woody
dusty, amber, woody, nutmeg, tobacco
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 52 hour(s) at 10.00 % in dipropylene glycol
Luebke, William tgsc, (2009) At 10.00 % in dipropylene glycol. dusty amber woody nutmeg tobacco
General comment Dry woody amber-spice combination with a cigar box nuance

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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:
flavor and 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 tobacarol (IFF) usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for tobacarol (IFF) 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):1209-61-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :102579
National Institute of Allergy and Infectious Diseases:Data
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane
Chemidplus:0001209616