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ethyl chrysanthemate

General Material Information

Preferred name ethyl chrysanthemate
Trivial Name ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Short Description ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Formula C12 H20 O2
CAS Number 97-41-6
CAS Number 15543-65-4
CAS Number 97-41-6 (RS)
CAS Number 97-41-6 (SR)
CAS Number 97-41-6 (SS)
ECHA Number 202-579-7
FDA UNII Search
Nikkaji Number J23.507E
Beilstein Number 2045740
MDL MFCD00001304
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • chrysanthemic acid ethyl ester
  • chrysanthemic acid, ethyl ester
  • chrysanthemum monocarboxylic acid ethyl ester
  • cyclopropanecarboxylic acid, 2, 2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester
  • cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester
  • cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl ester
  • cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester
  • cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,ethyl ester
  • cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester
  • 2,2-dimethyl-3-(1-isobutenyl)cyclopropane-1-carboxylic acid ethyl ester
  • 2,2-dimethyl-3-(2-methyl propenyl) cyclopropane carboxylic acid ethyl ester
  • 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropane carboxylic acid ethyl ester
  • 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ethyl ester
  • ethyl 2,2-dimethyl-3-(2-methyl prop-1-enyl) cyclopropane-1-carboxylate
  • (E+Z)- ethyl 2,2-dimethyl-3-(2-methyl propenyl) cyclopropane carboxylate
  • ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
  • ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
  • ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
  • ethyl chrysanthemumate
  • (E+Z)- ethyl chrysanthemumate

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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:2916.20.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 196.28979492188
Specific gravity @ 20 °C
Pounds per Gallon 7.664 to 7.714
Refractive Index 1.458 to 1.462 @ 20 °C
Vapor Pressure 0.037 mmHg @ 25 °C
Flash Point TCC Value 84.44 °C TCC
logP (o/w) 4.181 est
Solubility
alcohol Yes
water, 10.44 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
herbal, winey, fruity, immortelle, floral, chrysanthemum, sweet
General comment At 10.00 % in dipropylene glycol. herbal wine fruity everlasting flower chrysanthemum sweet

Potential Uses

Applications
Odor purposes Chrysanthemum, Fruit, Herbal, Immortelle, Incense, Marigold
Flavoring purposes Immortelle, Marigold

Safety Information

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:
oral-rat LD50 2600 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.

oral-mouse LD50 2600 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.

oral-guinea pig LD50 1900 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.

Dermal Toxicity:
skin-mouse LD50 > 5000 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.

Inhalation Toxicity:
inhalation-mammal (species unspecified) LC50 > 1600 mg/m3
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(7), Pg. 53, 1987.

inhalation-mouse LC > 1600 mg/m3
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(7), Pg. 53, 1987.

inhalation-mammal (species unspecified) LC50 > 1600 mg/m3
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.

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 chrysanthemate usage levels up to:
0.3000 % in the fragrance concentrate.
Recommendation for ethyl chrysanthemate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):97-41-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7334
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Chemidplus:0000097416
RTECS:GZ1727000 for cas# 97-41-6
ethyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Chemidplus:015543654
ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
ethyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
ethyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate