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hydroxycitronellal nitrile

Chemical Structure

General Material Information

Preferred name hydroxycitronellal nitrile
Trivial Name 7-Hydroxy-3,7-dimethyloctanenitrile
Short Description octanenitrile, 7-hydroxy-3,7-dimethyl-
Formula C10 H19 N O
CAS Number 68797-68-2
ECHA Number 272-309-0
FDA UNII Search
Nikkaji Number J308.313F
xLogP3-AA 1.90 (est)
NMR Predictor External link
Synonyms
  • 7-hydroxy-3,7-dimethyl octan-1-nitrile
  • 7-hydroxy-3,7-dimethyloctan-1-nitrile
  • 7-hydroxy-3,7-dimethyloctanenitrile
  • octanenitrile, 7-hydroxy-3,7-dimethyl-
  • 7-Hydroxy-3,7-dimethyloctanenitrile

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:2926.90.0000
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 169.26762390137
Boiling Point 283 to 284°C @ 760 mm Hg
Vapor Pressure 0.000359 mmHg @ 25 °C
Flash Point TCC Value 125.4 °C TCC
logP (o/w) 1.425 est
Solubility
alcohol Yes
water, 506.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
lily, muguet, woody, fresh
Substantivity 236 Hour(s)
Luebke, William tgsc, (1985) At 100.00 %. lily nitrile woody fresh

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 hydroxycitronellal nitrile 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):68797-68-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :111369
National Institute of Allergy and Infectious Diseases:Data
7-hydroxy-3,7-dimethyloctanenitrile
Chemidplus:0068797682