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ethyl safranate

Ethyl safranate is a cyclohexadiene ester noted for its floral and spicy rose scent, widely used in fragrance formulations to impart fruity and woody notes.
Chemical Structure

General Material Description

Ethyl safranate is a synthetic ester derived from 2,6,6-trimethyl cyclohexa-1,3-diene-1-carboxylic acid and ethanol, with molecular formula C12H18O2. It appears as a colorless to pale yellow liquid with a pronounced floral aroma featuring spicy rose, fresh apple, and woody nuances. This compound is also known under numerous synonyms such as cristalone, ethyl damascate, and oriental ester. Classified as a fragrance agent, ethyl safranate's sensory profile is complex and diffusive, making it valuable for perfume and toiletry formulation. Sourced mostly through chemical synthesis, it is listed in chemical databases such as PubChem. Its versatile scent profile facilitates use in diverse fragrance categories.

Occurrence, Applicability & Potential Uses

Ethyl safranate naturally occurs in small quantities in Atalantia monophylla and related plant species. It is principally applied as a perfuming agent imparting floral, fruity, oriental, and woody notes. Its spicy rose and subtle saffron aspects contribute complexity and depth in fragrance compositions. According to the IFRA Code of Practice (Global), usage levels in fragrance concentrates are recommended up to 5%. Its solubility in alcohol and stability in detergent formulations enhance its applicability beyond traditional fine fragrances, extending potential uses to toiletries and household products requiring lasting floral-oriental odors.

Physico-Chemical Properties Summary

Ethyl safranate exhibits a moderate molecular weight of approximately 194.27 g/mol with a molecular formula C12H18O2. It shows a vapor pressure of 0.027 mmHg at 25 °C, indicating low volatility suitable for sustained fragrance delivery. The estimated logP value near 3.8 suggests lipophilicity favoring solubility in organic solvents like alcohols, while water solubility remains limited but measurable. Its flash point is about 85 °C (185 °F), necessitating standard precautions during handling and storage. The material maintains shelf stability of 24 months or longer under cool, dry, and light-protected conditions, supporting reliable formulation use.

FAQ

What is ethyl safranate and what are its key characteristics?
Ethyl safranate is an ester compound known chemically as ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate. It possesses a complex floral fragrance with spicy rose, fresh apple, and woody notes, making it valuable in fragrance creation. The compound is recognized for its intensity and long-lasting aroma, often described as natural and fresh. It is also referred to by synonyms such as cristalone and oriental ester. Its molecular structure and chemical properties classify it as an organic ester used primarily in perfuming agents.
Where does ethyl safranate occur naturally and how is it used in products?
Ethyl safranate is found naturally, though in low amounts, in plants like Atalantia monophylla. Beyond natural occurrence, it is commercially synthesized for consistent quality and availability. The compound is widely utilized in perfume and toiletry products due to its stability and ability to impart floral, fruit, and oriental aroma profiles. Its solubility in alcohol enables use in alcohol-based perfumes, and its stability extends usage to detergents and household products requiring persistent scent character. Usage levels are regulated, especially in fragrance concentrates, to optimize scent impact and safety.
What safety standards and regulations apply to ethyl safranate in fragrance use?
Ethyl safranate is regulated under the IFRA Code of Practice (Global), which recommends maximum usage levels of 5% in fragrance concentrates to ensure consumer safety during typical product use. It is not authorized for flavor applications. Safety assessments, such as those by the Research Institute for Fragrance Materials (RIFM), indicate no classified hazards under OSHA standards in the United States. Proper storage involves keeping containers sealed and protected from heat and light to maintain stability. Regulatory listings include CAS number 35044-59-8 and ECHA pre-registration number 252-335-9 in the European Union.

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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:2918.23.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

General Material Information

Preferred name ethyl safranate
Trivial Name Ethyl safranate
Short Description cyclohexa-1,3-diene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
Formula C12 H18 O2
CAS Number 35044-59-8
ECHA Number 252-335-9
FDA UNII FZ10F6BJB5
Nikkaji Number J289.889F
xLogP3-AA 2.90 (est)
NMR Predictor External link
Synonyms
  • cristalone
  • cyclohexa-1,3-diene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
  • 1,3-cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
  • ethyl 2,6,6-trimethyl cyclohexa-1,3-ene carboxylate
  • ethyl 2,6,6-trimethyl cyclohexa-1,3-ene-1-carboxylate
  • ethyl 2,6,6-trimethyl cyclohexa-2,4-diene carboxylate
  • ethyl 2,6,6-trimethyl-1,3-cyclohexdiene-1-carboxylate
  • ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
  • ethyl 2,6,6-trimethylcyclohexa-1,3-ene-1-carboxylate
  • ethyl 6,6-dimethyl-2-methylene cyclohex-3-enecarboxylate
  • ethyl damascate
  • ethyl rosate
  • oriental ester
  • 1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
  • Ethyl β-safranate
  • 2,6,6-Trimethyl-1-(ethoxycarbonyl)cyclohexa-1,3-diene
  • Cristalon

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 194.27386474609
Vapor Pressure 0.027 mmHg @ 25 °C
Flash Point TCC Value 85 °C TCC
logP (o/w) 3.831 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 10.94 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
fresh, natural, herbal, rose, apple, woody
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 164 hour(s) at 100.00 %
Luebke, William tgsc, (1989) At 10.00 % in dipropylene glycol. fresh natural herbal damascon rose apple woody
Ethyl Safranate is a complex diffusive spicy rose with apple cider and spicy aspects. This rich and versatile ingredient is used in a wide range of fragrance types, from floral through to fruity, particularly apple. Ethyl Safranate gives body and radiance in Fine Fragrance and Toiletries, but is also unexpectedly stable in detergents, thus broadening the possibilities for use. Floral, Rose, Fruity, Apple, Spicy
General comment Intense and diffusive, natural, fresh, damascone, rose, apple, with woody aspects; longlasting

Occurrences

Potential Uses

Applications
Odor purposes Floral , Fruit , Herbal , Oriental , Rose , Saffron , Spice , Woody
Other purposes Arpege , L'air du temps , Natural
Cosmetic purposes Perfuming agents

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 ethyl safranate usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for ethyl safranate 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):35044-59-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :118201
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
Chemidplus:0035044598