citronitrile (Symrise)

Citronitrile (Symrise) is a synthetic nitrile compound characterized by the molecular formula C₁₂H₁₃N and recognized for its distinct citrus and lemongrass aroma. It presents as a colorless to pale liquid with a notable aromatic profile including fruity, floral, and balsamic notes reminiscent of lemon, rose, and cinnamon. This material is also known by various synonyms, including 3-Methyl-5-phenyl-2-pentenenitrile and citrus nitrile. Citronitrile's structural and chemical data are documented in authoritative sources such as the PubChem database. Its origin is primarily synthetic, produced for use in fragrance formulations rather than extracted from natural sources. This compound is valued in perfumery and flavor industries for its unique scent characteristics and compatibility with other citrus and floral ingredients.

Citronitrile occurs primarily as a synthetic aromatic nitrile designed to mimic natural citrus scents. It is not a naturally abundant substance, but rather manufactured for applications in the fragrance and flavor sectors. Its odor profile supports its use in emulating notes found in lemon, lemongrass, mandarin, and other citrus-related aromas. According to the IFRA (Global) standards, citronitrile is utilized as a perfuming agent with defined usage conditions to maintain safety and efficacy. It serves as an ingredient in perfumes, colognes, personal care products such as body lotions and shampoos, and cleaning agents where a fresh citrus aroma is desired. Potential flavoring applications are limited and generally not recommended according to current regulatory assessments.

Citronitrile (Symrise) exhibits a molecular weight of 171.24 g/mol and features a moderate lipophilicity, with an estimated log P of approximately 3.3, indicating its affinity for organic solvents over aqueous phases. It has a boiling point between 309 and 311 °C at standard atmospheric pressure, reflecting thermal stability suitable for various formulation processes. The compound’s specific gravity at 25 °C is 0.968, consistent with typical aromatic nitriles, and it possesses a very low vapor pressure of 0.001 mmHg at 25 °C, reducing volatility under ambient conditions. Solubility is notable in alcohol and low aqueous solubility is estimated near 43.83 mg/L at 25 °C, which influences its formulation compatibility in both hydrophobic and hydrophilic systems. Its flash point is about 230 °F (approximately 110 °C), supporting safe handling with moderate flammability precautions.

(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

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