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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
No odor group found for these
propyl 2-methyl butyrate
FL/FR
anisic
anisic
amyl furoate
FL/FR
balsamic
cinnamyl butyrate
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
terpinyl cinnamate
FL/FR
caramellic
diethyl malate
FL/FR
citrus
dihydromyrcenol
FL/FR
earthy
amyl octanoate
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
ethyl 4-pentenoate
FL/FR
methyl acetate
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetone
FL/FR
butyl tiglate
FR
cassis cyclohexene
FR
cinnamyl phenyl acetate
FL/FR
dimethyl anthranilate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
gelsone (IFF)
FL/FR
geranyl tiglate
FL/FR
menthadienyl formate
FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonanone
FL/FR
rose undecene
FR
fruity
para-
anisyl propionate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl sebacate
FL/FR
dodecyl propionate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl heptanoate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
para-
menth-1-ene-9-ol
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
propyl heptanoate
FL/FR
sorbyl butyrate
FL/FR
green
acetaldehyde dipropyl acetal
FL/FR
benzaldehyde dimethyl acetal
FL/FR
butyl heptanoate
FL/FR
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
chrysanthemum carbaldehyde
FR
chrysanthemum oxide
FL/FR
3,5,6-neo
cyclocitral
FR
green dioxolane
FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
hexyl tiglate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
herbal
acetyl tributyl citrate
FL/FR
iso
amyl heptanoate
FL/FR
iso
amyl tiglate
FL/FR
buchu mercaptan acetate
FL/FR
butyl levulinate
FL/FR
chamomile propionate
FR
chamomile valerate
FR
cuminyl acetate
FL/FR
freesia heptanol
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
methyl hexyl ether
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
3-
octanon-1-ol
FL/FR
phenethyl senecioate
FL/FR
rue oil
FL/FR
tagete oil south africa
FL/FR
tagette carboxylate
FR
tricyclodecenyl propionate
FR
viridiflorol
FL/FR
viridiflorol
FL/FR
honey
methyl hydrocinnamate
FL/FR
orris
orris capronate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
woody
kaempferia galanga rhizome oil
FL/FR
For Flavor
No flavor group found for these
acetyl tributyl citrate
FL/FR
amyl furoate
FL/FR
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
para-
anisyl propionate
FL/FR
benzyl methyl tiglate
FL
butyl angelate
FL/FR
iso
butyl heptanoate
FL/FR
iso
butyraldehyde propylene glycol acetal
FL
cinnamyl phenyl acetate
FL/FR
cuminyl acetate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
dodecyl propionate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl aconitate
FL
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
2-
hexanol
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
nonan-3-yl acetate
FL/FR
3-
octanon-1-ol
FL/FR
phenethyl senecioate
FL/FR
propyl 2-methyl butyrate
FL/FR
sorbyl propionate
FL
viridiflorol
FL/FR
viridiflorol
FL/FR
acidic
acidic
(E)-2-
hexenoic acid
FL
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
citrus
freesia heptanol
FL/FR
ethereal
iso
butyl alcohol
FL/FR
methyl acetate
FL/FR
methyl hexyl ether
FL/FR
fatty
iso
amyl laurate
FL/FR
methyl decanoate
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
fruity
iso
amyl acetoacetate
FL/FR
benzyl acetone
FL/FR
buchu mercaptan acetate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl heptanoate
FL/FR
butyl hexanoate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl heptanoate
FL/FR
hexyl phenyl acetate
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
pentanone
FL/FR
sorbyl butyrate
FL/FR
tagete oil south africa
FL/FR
terpinyl cinnamate
FL/FR
green
acetaldehyde dipropyl acetal
FL/FR
benzaldehyde dimethyl acetal
FL/FR
iso
butyl methyl ketone
FL/FR
chrysanthemum oxide
FL/FR
dihydromyrcenol
FL/FR
gelsone (IFF)
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl tiglate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
3-
nonanone
FL/FR
herbal
iso
amyl heptanoate
FL/FR
butyl levulinate
FL/FR
para-
menth-1-ene-9-ol
FL/FR
rue oil
FL/FR
musty
propionaldehyde
FL
orris
orris capronate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
cinnamyl butyrate
FL/FR
methyl nonanoate
FL/FR
woody
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FRchrysanthemum
FRfruit
FRherbal
FL/FRimmortelle
FRincense
FL/FRmarigold
 
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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