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1-allyl-2,2,7,7-tetramethyl cycloheptanol

General Material Information

Preferred name 1-allyl-2,2,7,7-tetramethyl cycloheptanol
Trivial Name 2,2,7,7-tetramethyl-1-prop-2-enylcycloheptan-1-ol
Short Description chinchilol
Formula C14 H26 O
CAS Number 105463-44-3
FDA UNII Search
Nikkaji Number J120.484J
xLogP3-AA 4.50 (est)
NMR Predictor External link
Synonyms
  • 1-allyl-2,2,7,7-tetramethylcycloheptanol
  • chinchilol
  • cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propen-1-yl)-
  • cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)-
  • 2,2,7,7-tetramethyl-1-prop-2-enyl cycloheptan-1-ol
  • 2,2,7,7-tetramethyl-1-prop-2-enylcycloheptan-1-ol

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

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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:2906.19.020
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 210.36041259766
Specific gravity @ 20 °C
Pounds per Gallon 7.848 to 7.989
Refractive Index 1.49 to 1.5 @ 20 °C
Boiling Point 198 to 200°C @ 111 mm Hg
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.795 est
Solubility
alcohol Yes
water, 4.813 mg/L @ 25 °C (est) Yes
water No
Stability
ph from 6 - 11 Unspecified

Organoleptic Properties

Odor Type: Herbal
woody, camphoreous, patchouli, earthy, rooty
Odor strength medium
Substantivity 64 hour(s) at 100.00 %
Luebke, William tgsc, (1991) At 100.00 %. woody camphor patchouli earthy rooty

Potential Uses

Applications
Odor purposes Ambergris, Chypre, Earth, Fern, Herbal, Patchouli, Root, Woody

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:
oral-rat LD50 > 5000 mg/kg
Kao Corporation

Dermal Toxicity:
skin-rabbit LD50 > 2000 mg/kg
Kao Corporation

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
IFRA Purity Specification:
Recommendation for 1-allyl-2,2,7,7-tetramethyl cycloheptanol usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for 1-allyl-2,2,7,7-tetramethyl cycloheptanol flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
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Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :184493
National Institute of Allergy and Infectious Diseases:Data
2,2,7,7-tetramethyl-1-prop-2-enylcycloheptan-1-ol
Chemidplus:0105463443