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General Material Information

Preferred name waxy nitrile
Trivial Name 2-Tridecenenitrile
Short Description ozonil (Symrise)
Formula C13 H23 N
CAS Number 22629-49-8
ECHA Number 245-142-6
FDA UNII Search
xLogP3-AA 5.60 (est)
NMR Predictor External link
Synonyms
  • ozonil (Symrise)
  • tridec-2-ene nitrile
  • tridec-2-enenitrile
  • tridecen 2 nitrile
  • (E,Z)-2(3)- tridecene acid nitrile
  • trans,cis-2(3)- tridecene acid nitrile
  • tridecene nitrile
  • 2-tridecene nitrile
  • tridecene-2-nitrile
  • 2-tridecenenitrile
  • tridecennitrile-2
  • 2-tridecenonitrile
  • 2-Tridecenenitrile
  • Tridec-2-enonitrile
  • Ozonil

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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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2926.90.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 193.33331298828
Boiling Point 288 to 289°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 5.267 est
Solubility
alcohol Yes
water, 1.271 mg/L @ 25 °C (est) Yes
water No
Stability
ph from 12.2 Unspecified

Organoleptic Properties

Odor Type: Citrus
citrus, waxy, mandarin, fresh, aldehydic, seashore
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 1.00 % in dipropylene glycol. citrus waxy mandarin skin fresh aldehydic sea breeze
Stable in: body lotion (good), shampoo (excellent), soap (very good), ap roll-on (good), powder (very good), cleaner citric (good), cleaner apc (very good), bleach (poor). Complex citrus note, reminiscent of mandarin peel, floral, aldehydic, with slight sea breeze nuances
Tridecene-2-Nitrile has a powerful citrus, tangerine note with an aldehydic character and a hint of fresh coriander. Citrus, Tangerine, Aldehydic
General comment Powerful nausty, fatty aldehydic; on extreme dilution had mandarine note and sea breeze nuance

Potential Uses

Applications
Odor purposes Aldehydic, Apple, Citrus, Fresh and clean, Green, Lemon, Mandarin, Ocean sea, Orange, Peach, Pine, Sea breeze
Other purposes Fir, Metallic, Peel, Watery, Waxy
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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 waxy nitrile usage levels up to:
0.5000 % in the fragrance concentrate.
Recommendation for waxy 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):22629-49-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :90818
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
tridec-2-enenitrile
Chemidplus:0022629498