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tonkavert

Chemical Structure

General Material Information

Preferred name tonkavert
Trivial Name 3,5-Dimethyl-3-cyclohexene-1-carbonitrile
Short Description trivertanyl
Formula C9 H13 N
CAS Number 66848-40-6
ECHA Number 266-497-3
FDA UNII Search
Nikkaji Number J310.160F
xLogP3-AA 1.70 (est)
NMR Predictor External link
Synonyms
  • 1-cyano-3,5-dimethyl cyclohex-3-ene
  • 1-cyano-3,5-dimethylcyclohex-3-ene
  • 3-cyclohexene-1-carbonitrile, 3,5-dimethyl-
  • 3,5-dimethyl cyclohex-3-ene-1-carbonitrile
  • 3,5-dimethyl cyclohexene carbonitrile
  • 3,5-dimethyl-3-cyclohexene-1-carbonitrile
  • 3,5-dimethylcyclohex-3-ene-1-carbonitrile
  • trivertanyl
  • 3,5-dimethylcyclohex-3-ene-1-carbonitrile
  • 3-Cyclohexene-1-carbonitrile, 3,5-dimethyl-
  • 3,5-Dimethyl-3-cyclohexene-1-carbonitrile

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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 135.20960998535
Boiling Point 221 to 223°C @ 760 mm Hg
Vapor Pressure 0.097 mmHg @ 25 °C
Flash Point TCC Value 76.11 °C TCC
logP (o/w) 2.523 est
Solubility
alcohol Yes
water, 167.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Coumarinic
tonka, tobacco, coumarinic
General comment At 100.00 %. tonka tobacco

Potential Uses

Applications
Odor purposes Coconut, Tobacco, Tonka bean
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 tonkavert usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for tonkavert 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):66848-40-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106697
National Institute of Allergy and Infectious Diseases:Data
3,5-dimethylcyclohex-3-ene-1-carbonitrile
Chemidplus:0066848406