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citronitrile (Symrise)

Chemical Structure

General Material Information

Preferred name citronitrile (Symrise)
Trivial Name 3-Methyl-5-phenyl-2-pentenenitrile
Short Description citronitrile (Symrise)
Formula C12 H13 N
CAS Number 93893-89-1
ECHA Number 299-682-2
FDA UNII Search
MDL MFCD00011718
xLogP3-AA 3.30 (est)
NMR Predictor External link
Synonyms
  • citrus nitrile
  • 3-methyl-5-phenyl pent-2-ene nitrile
  • 3-methyl-5-phenyl-2-pentene nitrile
  • 3-methyl-5-phenyl-2-pentenenitrile
  • 3-methyl-5-phenyl-pent-2-enenitrile
  • 3-methyl-5-phenylpent-2-enenitrile
  • 2-pentenenitrile, 3-methyl-5-phenyl-
  • 5-phenyl-3-methyl-2-pentenonitrile
  • 3-methyl-5-phenylpent-2-enenitrile
  • 2-Pentenenitrile, 3-methyl-5-phenyl-
  • 3-Methyl-5-phenyl-2-pentenenitrile
  • Citronitril

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:2926.90.4400
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 171.24261474609
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 309 to 311°C @ 760 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 3.345 est
Solubility
alcohol Yes
water, 43.83 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Citrus
citrus, lemongrass, fruity, floral, rose, cinnamon, balsamic
Luebke, William tgsc, (1986) At 100.00 %. citrus lemongrass fruity floral rose cinnamon balsamic
Stable in: body lotion (excellent), shampoo (excellent), soap (good), ap roll-on (very good), powder (very good), cleaner citric (very good), cleaner apc (very good), bleach (poor). Citrus-like and fruity-floral with rosy and cinnamon nuances
General comment CITRIC, FRESH, LEMONGRASS

Safety Information

Safety information

Preferred SDS: View
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 citronitrile (Symrise) flavor usage levels up to:
not for flavor use.

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 :104453
National Institute of Allergy and Infectious Diseases:Data
3-methyl-5-phenylpent-2-enenitrile
Chemidplus:0093893891