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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

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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

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