ethyl crotonate
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IUPAC name :ethyl but-2-enoate
InChI :InChI=1/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3
InChIKey :ZFDIRQKJPRINOQ-HWKANZROBY
SMILES :CCOC(=O)C=CC
cas number :10544-63-5
(EINECS) number :234-125-9
beilstein number :1720418
fema number :3486
coe number :2244
jecfa number :1806
molar refractivity :31.67 ± 0.3 cm3
parachor :282.8 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.915 ± 0.06 g/cm3
polarizability :12.55 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 114.1424000
formula :C6 H10 O2
NMR Predictor :Predict
 
 
IUPAC name :ethyl (E)-but-2-enoate
InChI :InChI=1/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
InChIKey :ZFDIRQKJPRINOQ-HWKANZROBY
SMILES :CCOC(=O)\C=C\C
cas number :623-70-1
(EINECS) number :210-808-7
beilstein number :0635834
fema number :3486
coe number :2244
fl. number :09.248
molar refractivity :31.67 ± 0.3 cm3
parachor :282.8 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.915 ± 0.06 g/cm3
polarizability :12.55 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 114.1424000
formula :C6 H10 O2
NMR Predictor :Predict
 
 
IUPAC name :ethyl (Z)-but-2-enoate
InChI :InChI=1/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
InChIKey :ZFDIRQKJPRINOQ-HYXAFXHYBV
SMILES :CCOC(=O)\C=C/C
cas number :6776-19-8
molar refractivity :31.67 ± 0.3 cm3
parachor :282.8 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.915 ± 0.06 g/cm3
polarizability :12.55 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 114.1424000
formula :C6 H10 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.7000
fda reg :172.515
Suppliers :
Advanced Biotech :ethyl crotonate
96% min. natural
Odor:  Ethereal, rum
Apple :Ethyl crotonate
Fontarome :ETHYL CROTONATE (T2 BUTENOATE)
Odor:  Sweet, ethereal
Grau Aromatics :ETHYL-CROTONATE
FCC, NI, Kosher
Inoue :ETHYL CROTONATE
organoleptics :
odor type :fermented
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		pungent fruity acrid ester
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.91400 to 0.92000 @ 20.00 °C.
pounds per gallon - calc. : 7.614 to 7.664
refractive index :1.42300 to 1.42800 @ 20.00 °C.
boiling point : 136.00 to 137.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :6.87000 mm/Hg @ 25.00 °C.
flash point : 36.00  °F.  TCC  ( 2.22 °C. )
logP (o/w) : 1.85
safety :
most important hazard(s) :Xi - Irritant
  R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    3000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Guineapig  >10.00  ml/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for ethyl crotonate usage levels up to :
  6.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 ethyl but-2-enoate
(EINECS) number :234-125-9
chemidplus :010544635
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :10544-63-5
 
 
 ethyl (E)-but-2-enoate
(EINECS) number :210-808-7
chemidplus :000623701
EPA Substance Registry Services :623-70-1
 
 
 ethyl (Z)-but-2-enoate
chemidplus :6776-19-8
EPA Substance Registry Services :6776-19-8
dtp/nci :4778
references :
 ethyl but-2-enoate
jecfa number :1806
NIST Chemistry WebBook :3020063508
pubchem :197792
 ethyl (E)-but-2-enoate
fl. number :09.248
NIST Chemistry WebBook :239484267
pubchem :155510
 ethyl (Z)-but-2-enoate
pubchem :71007
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-butenoic acid ethyl ester
 crotonic acid ethyl ester
 ethyl 2-butenoate
 ethyl but-2-enoate
 ethyl-2-butenoate
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
isoamyl laurate
2-amyl-5 or 6-keto-1,4-dioxane
isobutyl acetoacetate
 butyl angelate
isobutyl decanoate
isobutyraldehyde propylene glycol acetal
 chamomile oil
 clary sage concrete
 cognac oil white
 decyl propionate
 diethyl 1-malate
 diethyl laevo-tartrate
 ethyl aconitate
 ethyl butyrate
 ethyl formate
 ethyl heptanoate
 ethyl octanoate
 ethyl undecanoate
2-ethyl-4-butanol
 farnesyl acetone
 geranyl acetoacetate
 grapefruit menthane
4-heptanone
 hexanal diethyl acetal
2-hexanol
(E)-2-hexen-1-yl valerate
4-methyl-2-penten-1-al
 orange oil bitter
 papaya isobutyrate
 sorbyl butyrate
(odor and/or flavor) used in :
 blueberry
 cherry
 citrus
 cucumber
 guava
 orange
 raspberry
 strawberry
natural occurrence in :
found in nature



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