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ethyl chrysanthemate
ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate

Sponsors

Name:ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CAS Number: 97-41-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-579-7
Nikkaji Web:J23.507E
Beilstein Number:2045740
MDL:MFCD00001304
XlogP3:4.10 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:ethyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CAS Number: 15543-65-4Picture of molecule3D/inchi
Nikkaji Web:J1.242.288A
XlogP3:4.10 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CAS Number: 97-41-6 (RS)Picture of molecule3D/inchi
Nikkaji Web:J1.532.548H
XlogP3:4.10 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:ethyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CAS Number: 97-41-6 (SR)Picture of molecule3D/inchi
Nikkaji Web:J1.533.114C
XlogP3:4.10 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:ethyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CAS Number: 97-41-6 (SS)Picture of molecule3D/inchi
Nikkaji Web:J441.668F
XlogP3:4.10 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.92000 to 0.92600 @ 20.00 °C.
Pounds per Gallon - (est).: 7.664 to 7.714
Refractive Index:1.45800 to 1.46200 @ 20.00 °C.
Boiling Point: 112.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.037000 mm/Hg @ 25.00 °C. (est)
Flash Point: 184.00 °F. TCC ( 84.44 °C. )
logP (o/w): 4.181 (est)
Soluble in:
 alcohol
 water, 10.44 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
herbal winey fruity immortelle floral chrysanthemum sweet
Odor Description:at 10.00 % in dipropylene glycol. herbal wine fruity everlasting flower chrysanthemum sweet
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Frinton Laboratories
For experimental / research use only.
Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Penta International
ETHYL CHRYSANTHEMATE
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl Chrysanthemate
Sigma-Aldrich
Ethyl chrysanthemate, mixture of cis and trans, ≥95%
Odor: herbaceous; wine-like; ethereal; sweet
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylate >95.0%(GC)
 
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
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
Toxicology Citations:Search
EPA GENetic TOXicology:Search
Env. Mutagen Info. Center: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
 
References:
 ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:97-41-6
Pubchem (cid):7334
Pubchem (sid):150393
Pherobase:View
 ethyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:15543-65-4
Pubchem (cid):177610
Pubchem (sid):754829
 ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:97-41-6
Pubchem (cid):719276
Pubchem (sid):35396592
 ethyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:97-41-6
Pubchem (cid):719271
Pubchem (sid):35396588
 ethyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:97-41-6
Pubchem (cid):719273
Pubchem (sid):35396590
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
balsamic
opoponax resinoid (balsamodendron kafal)
FR
floral
butyl tiglate
FR
cassis cyclohexene
FR
menthadienyl formate
FR
rose undecene
FR
fruity
ethyl 3,5,5-trimethyl hexanoate
FR
green
chrysanthemum carbaldehyde
FR
3,5,6-neo
cyclocitral
FR
green dioxolane
FR
herbal
chamomile propionate
FR
chamomile valerate
FR
tagette carboxylate
FR
tricyclodecenyl propionate
FR
For Flavor
No flavor group found for these
2-
amyl-5 or 6-keto-1,4-dioxane
FL
benzyl methyl tiglate
FL
iso
butyraldehyde propylene glycol acetal
FL
ethyl aconitate
FL
sorbyl propionate
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
musty
propionaldehyde
FL
 
Potential Uses:
FRchrysanthemum chrysantheme
FRfruit
FRherbal
FL/FRimmortelle helichrysum everlasting
FRincense
FL/FRmarigold tagete
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
None found
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