cinnamon acrolein
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IUPAC name :3-(furan-2-yl)-2-methylprop-2-enal
InChI :InChI=1/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3
InChIKey :ZNBXZUKDRRRQJK-UHFFFAOYAJ
SMILES :CC(=CC1=CC=CO1)C=O
cas number :874-66-8
(EINECS) number :212-866-9
fema number :2704
coe number :11878
jecfa number :1498
fl. number :13.046
molar refractivity :39.10 ± 0.3 cm3
parachor :309.0 ± 4.0 cm3
index of refraction :1.528 ± 0.02
surface tension :35.2 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :15.50 ± 0.5 10-24cm3
XlogP : 0.80
XlogP3 : 1.60
molecular weight : 136.1479200 (IUPAC)
formula :C8 H8 O2
NMR Predictor :Predict
 
 
IUPAC name :(E)-3-(furan-2-yl)-2-methylprop-2-enal
InChI :InChI=1/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+
InChIKey :ZNBXZUKDRRRQJK-FNORWQNLBF
SMILES :C/C(=C\C1=CC=CO1)/C=O
cas number :874-66-8  (E)
molar refractivity :39.10 ± 0.3 cm3
parachor :309.0 ± 4.0 cm3
index of refraction :1.528 ± 0.02
surface tension :35.2 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :15.50 ± 0.5 10-24cm3
XlogP : 0.80
XlogP3 : 1.60
molecular weight : 136.1479200 (IUPAC)
formula :C8 H8 O2
NMR Predictor :Predict
 
 
IUPAC name :(Z)-3-furan-2-yl-2-methylprop-2-enal
InChI :InChI=1/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5-
InChIKey :ZNBXZUKDRRRQJK-ALCCZGGFBL
SMILES :C/C(=C/C1=CC=CO1)/C=O
cas number :874-66-8  (Z)
molar refractivity :39.10 ± 0.3 cm3
parachor :309.0 ± 4.0 cm3
index of refraction :1.528 ± 0.02
surface tension :35.2 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :15.50 ± 0.5 10-24cm3
XlogP : 0.80
XlogP3 : 1.60
molecular weight : 136.1479200 (IUPAC)
formula :C8 H8 O2
NMR Predictor :Predict
 
 
export tariff code :2912.49.0000
fda reg :unspecified
Suppliers :
Endeavour :2-Methyl-3-(2-furyl)acrolein
99%
Frutarom :2-METHYL-3(2-FURYL) ACROLEIN
≥97.00%, NI, Kosher
Odor:  Cinnamon, Spicy, Woody.
Suggested Uses: Blackberry, Coffee, Herbal Flavours, Raspberry, Soft Fruits, Tropical Fruits
Penta :2-methyl-3(2-furyl) acrolein
Treatt :Methyl-3-(2-furyl) acrolein
Odor:  Spicy, cassia, cinnamon and woody herbal, medicinal
Flavor:  Spicy, cinnamon, cassia and woody red-hot candy
organoleptics :
odor type :spicy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		spice cinnamon woody herbal
odor description:
Spicy, cassia, cinnamon and woody with herbal, medicinal nuances
Mosciano, Gerard P&F 22, No. 2, 69, (1997)
taste description:
at 10.00 ppm.  		Spicy, cinnamon, cassia and woody with a red-hot candy naunce
Mosciano, Gerard P&F 22, No. 2, 69, (1997)
properties :
appearence :yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.08800 to 1.09900 @ 25.00 °C.
pounds per gallon - calc. : 9.053 to 9.145
refractive index :1.48000 to 1.61000 @ 20.00 °C.
boiling point : 110.00 °C. @ 2.00 mm Hg
boiling point : 78.00 °C. @ 1.00 mm Hg
acid value : 3.00  max.  KOH/g
vapor density :4.6 ( Air = 1 )
flash point : 215.00  °F.  TCC  ( 101.67 °C. )
logP (o/w) : 2.30
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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    1400.00  mg/kg
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 3, 1990.

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for cinnamon acrolein fragrance usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for cinnamon acrolein flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
3-(furan-2-yl)-2-methylprop-2-enal
(EINECS) number :212-866-9
chemidplus :000874668
EPA Substance Registry Services :874-66-8
 
(E)-3-(furan-2-yl)-2-methylprop-2-enal
 
(Z)-3-furan-2-yl-2-methylprop-2-enal
references :
 
3-(furan-2-yl)-2-methylprop-2-enal
fl. number :13.046
jecfa number :1498
pubchem :43118514
 
(E)-3-(furan-2-yl)-2-methylprop-2-enal
pubchem :42910720
 
(Z)-3-furan-2-yl-2-methylprop-2-enal
pubchem :197491
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
3-furan-2-yl-2-methylprop-2-enal
3-(furan-2-yl)-2-methylprop-2-enal
3-(2-furanyl)-2-methyl-2-propenal
2-furfurylidene propionaldehyde
 furfurylidene-2-propanal
3-(2-furyl) methacryl aldehyde
3-(2-furyl)-2-methyl prop-2-enal
alpha-methyl furyl acrolein
2-methyl-3-(2-furyl) acrolein
2-methyl-3-(2-furyl)-2-propenal
2-methyl-3-furyl acrolein
2-methyl-3-furyl acrolein so called
2-methyl-3,2-furyl propenal
2-methyl-3(2-furyl) acrolein
alpha-methyl-beta-(2-furyl) acrolein
alpha-methyl-beta-furyl acrolein
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 agrumen nitrileFR
 amber caraneFR
 atractylis root oilFR
 benzylidene acetoneFL
 birch oil sweet americaFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
sec-butyl-3-methyl but-2-ene thioateFL
 calamenene 
 canella bark oilFR
 carrot leaf oilFR
 carrot weed oilFL/FR
 carvacrolFL/FR
 carvacryl ethyl etherFL/FR
 carvacryl methyl etherFL/FR
 caryophylleneFL/FR
beta-caryophylleneFL/FR
isocaryophylleneCS
alpha-caryophyllene alcoholFL/FR
 caryophyllene alcohol acetateFL/FR
beta-caryophyllene oxideFL/FR
 cascarilla bark oilFL/FR
 cassia bark oilFL/FR
 cassia concreteFR
 cassia leaf oil chinaFL/FR
 cassia oleoresinFL
 cedarwood oil atlasFR
 chamomile oilFL/FR
 cinnamaldehydeFL/FR
(E)-cinnamaldehydeFL/FR
(Z)-cinnamaldehydeFL/FR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
 cinnamaldehyde dimethyl acetalFL/FR
 cinnamaldehyde ethylene glycol acetalFL/FR
 cinnamon bark oilFL/FR
 cinnamon bark oil (cinnamomum zeylanicum blume) indiaFL/FR
 cinnamon leaf oilFL/FR
 cinnamon oleoresinFL
 cinnamyl acetateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl nitrileFR
(E)-cinnamyl nitrileFR
 clove bud absoluteFL/FR
alpha-copaene 
 coriander seed absoluteFL/FR
 coriander seed concreteFR
 coriander seed oilFL/FR
(-)-cubenol 
 cuminyl alcoholFL/FR
 currant bud absolute blackFL/FR
para-cymeneFL/FR
 cyperus root oilFR
 dehydroxylinalool oxideFL/FR
 dihydrojasmoneFL/FR
2,4-dimethyl anisoleFL
 elemi oilFL/FR
isoeugenyl phenyl acetateFL/FR
 frankincense absoluteFL/FR
 frankincense resinoidFL/FR
 furfural acetoneFL
2-furfurylidene butyraldehydeFL
 galangal root oilFL/FR
(E)-germacrene DFR
 ginger oleoresinFL
 ginger root oilFL/FR
 ginger root oil brazil 
 grains of paradise oilFL
 guaiacwood oilFL/FR
 guaiyl acetateFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
2-heptanoneFL/FR
 herbal acetalFR
 hexyl 3-mercaptobutanoateFL
 huon pine wood oilFR
 juniper berry oleoresinFL/FR
 mace oilFL/FR
 marjoram oil sweet cubaFL/FR
 marjoram oil sweet cyprus 
 marjoram oil sweet egyptFL/FR
 marjoram oil sweet moroccoFL/FR
para-menth-1-en-9-alFL/FR
1-para-menthen-9-yl acetateFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
ortho-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
alpha-methyl cinnamaldehydeFL/FR
para-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl eugenolFL/FR
 methyl heptadienoneFL/FR
 methyl phenyl sulfideFL
4-methyl-2,6-dimethoxyphenolFL/FR
 mimosa absoluteFL/FR
gamma-muurolene 
T-muurolol 
 myrtenalFL/FR
3-nonanolFL/FR
 octanal diethyl acetalFL/FR
3-octanolFL/FR
3-octanon-1-olFL/FR
3-octen-2-oneFL/FR
 opoponax absoluteFL/FR
 orthodon dianthera maxim. oil vietnam 
 parsley seed oilFL/FR
 patchouli absoluteFR
 perillyl acetateFL/FR
 phenoxyethanolFL/FR
2-phenoxyethyl formateFR
3-phenyl propyl acetateFL/FR
 pimenta leaf oilFL/FR
 pimento berry absoluteFL/FR
 pine needle oil dwarfFL/FR
 privet dioxaneFR
 rhubarb oxiraneFR
 saffron indenoneFL/FR
 safranalFL/FR
 salvia atropatana bunge oil iran 
 spicy carbonateFR
 spicy pentanoneFL/FR
 spikenard oilFL/FR
 tansy flower oil canadaFR
 tansy flower oil dutchFR
 tansy leaf oil dutch 
 tansy oilFR
 terpinyl isobutyrateFL/FR
 theaspiraneFL/FR
 thymyl methyl etherFL/FR
(E)-tiglic acidFL/FR
 turmeric oleoresinFL
 turmeric root absoluteFL
 vanillin propylene glycol acetalFL/FR
 zedoary bark oilFL/FR
potential uses :
 blackberry
 cassia
 cinnamon
 clove
 coffee
 cola
 fruit tropical fruit
 herbal
 mace
 nut
 nut peanut
 raspberry
 spice
 woody
natural occurrence in :    note
 peanut roasted peanut  

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