dodecane nitrile

Dodecane nitrile, also known by synonyms such as dodecanenitrile and lauronitrile, is an organic nitrile compound represented by the molecular formula C₁₂H₂₃N. It appears as a clear liquid with a medium-strength citrus odor exhibiting characteristics of dry orange peel, metallic, and spicy notes. This compound is classified under fragrance agents and perfuming agents, where its aromatic profile contributes to various scent formulations. Dodecane nitrile is sourced synthetically and is well described in controlled-vocabulary chemical databases such as PubChem. Its use in fragrance compounds is supported by its stability and compatibility with alcohol and some cosmetic products.

Dodecane nitrile occurs naturally in cured pork, where it may contribute to complex aroma profiles. Its application is predominantly in the fragrance industry as a key ingredient in odor formulations that evoke citrus, aldehydic, and floral notes. The compound can enhance topnotes with fresh, metallic, and ozonic accents. Its incorporation into perfumes, colognes, and other scented products leverages its excellent stability profile. It is officially regulated under standards such as IFRA (Global), which recommends usage levels up to 5% in fragrance concentrates. Notably, dodecane nitrile is not intended for flavor use, reflecting its specific role in olfactory rather than gustatory applications.

Dodecane nitrile displays a molecular weight of approximately 181.32 g/mol and a molecular formula C₁₂H₂₃N. The compound exhibits a specific gravity range from 0.819 to 0.828 at temperatures between 20 and 25 °C, indicating a density slightly lower than water. Its refractive index varies from 1.433 to 1.438 at 20 °C, corresponding to its optical properties relevant in quality control. The melting point ranges narrowly between 3 and 4 °C at standard pressure. The flash point is measured at 201 °F (approximately 94 °C), indicating a moderate volatility level. Its log P value of 5.02 suggests significant lipophilicity, impacting solubility and partitioning in formulations. Dodecane nitrile is soluble in alcohol and has limited water solubility, estimated at 2.51 mg/L at 25 °C. The compound maintains stability in various cosmetic matrices such as alcoholic lotions, antiperspirants, and shampoos, provided it is stored sealed, protected from heat and light, and under cool, dry conditions. This physico-chemical profile supports its versatility and endurance in fragrance product formulations.

(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:	2926.90.5050
VCF-Online:	VCF Volatile Compounds in Food
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Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36 - Wear suitable protective clothing.
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 500 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.
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 dodecane nitrile usage levels up to:
	5.0000 % in the fragrance concentrate.
Recommendation for dodecane 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):2437-25-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :17092

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 3276

WGK Germany:2

dodecanenitrile

Chemidplus:0002437254

RTECS:JR2600000 for cas# 2437-25-4