5-methyl furfural
 
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IUPAC name :5-methylfuran-2-carbaldehyde
InChI :InChI=1/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey :OUDFNZMQXZILJD-UHFFFAOYAE
SMILES :CC1=CC=C(O1)C=O
(EINECS) number :210-622-6
cas number :620-02-0
beilstein number :0106895
fema number :2702
coe number :119
fl. number :13.001
molar refractivity :30.13 ± 0.3 cm3
parachor :243.9 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :35.1 ± 3.0 dyne/cm
density :1.099 ± 0.06 g/cm3
polarizability :11.94 ± 0.5 10-24cm3
xlogp : 0.70
molecular weight : 110.1106400
formula :C6 H6 O2
 
 
export tariff code :2932.19.0000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :5-METHYL FURFURAL
≥99.0%, Kosher
Fontarome Chemical :5-METHYL FURFURAL
Oxford Chemicals Ltd :5-METHYLFURFURAL
≥99.00%, NI, Kosher
Sigma-Aldrich-SAFC :5-Methyl furfural
≥98%, Kosher, FG
Treatt :5-Methylfurfural

organoleptics :
odor type :caramellic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
spice caramel maple

properties :
appearence :yellow to orange clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10100 to 1.11000 @ 25.00 °C.
pounds per gallon - calc. : 9.161 to 9.236
refractive index :1.52700 to 1.53300 @ 20.00 °C.
boiling point : 89.00 to 90.00 °C. @ 26.00 mm Hg
boiling point : 187.00 to 189.00 °C. @ 760.00 mm Hg
logp : 0.67

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Oral-Rat    2200.00  mg/kg    (Moreno, 1978g)
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :140.00 (μg/capita/day)
flash point ( Deg. F. ) : 163.00  °F.  TCC  ( 72.78 °C. )
recommendation for 5-methyl furfural usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for 5-methyl furfural usage levels up to :
  50.0000 ppm in the flavor.

safety links :
 
 
(EINECS) number :210-622-6
RTECS :LT7032500 for 620-02-0
chemidplus :000620020
EPA Substance Registry Services :620-02-0
NLM Chemical Carcinogenesis Research Information System :620-02-0
NLM Developmental and Reproductive Toxicity :620-02-0
NLM Env. Mutagen Info. Center :620-02-0
NLM GENetic TOXicology :620-02-0
EPI System :view

other :

references :
fl. number :13.001
pubchem :155411
NIST Chemistry WebBook :4293097746
synonyms :
2-formyl-5-methyl furan
5-methyl furan-2-al
5-methyl furan-2-carbaldehyde
5-methyl furfural
5-methyl furfuraldehyde
5-methyl-2-furaldehyde
5-methyl-2-furan carboxaldehyde
5-methyl-2-furfural
5-methyl-2-furfuraldehyde
2-methyl-5-formyl furan

soluble in :
 alcohol
 water, 29100 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin
2-acetyl furan
 acetyl propionyl
2-acetyl pyrazine
2-acetyl pyrrole
2-acetyl-2-thiazoline
3-acetyl-2,5-dimethyl furan
2-acetyl-3-methyl pyrazine
2-acetyl-3,4,5,6-tetrahydropyridine
2-acetyl-3,5(or 6)-dimethyl pyrazine
 allyl 2-furoate
isoamyl 3-(2-furan) propionate
 benzothiazole
 benzyl disulfide
 benzyl mercaptan
 berry furanone
 butyl levulinate
 butyl mercaptan
 butyraldehyde
2-oxobutyric acid
gamma-butyrolactone
 caramel dione
 caramel furanone
 caramel pentadione
 caraway seed oleoresin
dextro-carvone
 cocoa pyrazine
 coconut naphthalenone
 coffee difuran
 coffee dione
 coffee furanone
 coffee pyrazine
 cyclohexyl acetic acid
 diacetyl
 dicyclohexyl disulfide
2,5-diethyl tetrahydrofuran
2,5-diethyl-3-methyl pyrazine
 difurfuryl ether
 difurfuryl sulfide
2,5-dihydroxy-1,4-dithiane
 diisoamyl thiomalate
alpha,alpha-dimethyl anisyl acetone
2,3-dimethyl pyrazine
2,6-dimethyl pyrazine
2,6-dimethyl pyridine
2,4-dimethyl thiazole
4,5-dimethyl-2-ethyl-3-thiazoline
2,5-dimethyl-3-thiofuroyl furan
 ethyl (E)-crotonate
 ethyl 2-hydroxy-2-methyl butyrate
 ethyl 3-(furfuryl thio) propionate
 ethyl 4-pentenoate
 ethyl cyclopentenolone
 ethyl maltol
 ethyl methyl sulfide
 ethyl pyruvate
S-ethyl thioacetate
(E)-ethyl tiglate
 ethyl vanillin
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
2-ethyl-3,5(6)-dimethyl pyrazine mixture
 fenugreek absolute
 fenugreek oleoresin
 fenugreek resinoid
 filbert heptenone
 filbert pyrazine
 furfural
 furfuryl acetone
 furfuryl alcohol
 furfuryl isopropyl sulfide
 furfuryl mercaptan
 furfuryl methyl ether
 furfuryl octanoate
 furfuryl propionate
1-furfuryl pyrrole
 furfuryl thioacetate
S-furfuryl thioformate
 furfuryl thiopropionate
 furfuryl valerate
 geranyl crotonate
laevo-glutamic acid
gamma-heptalactone
3,4-hexane dione
1-hydroxy-2-butanone
5-hydroxymethyl furfural
 immortelle absolute
 levulinic acid
 maltol
 maltyl propionate
 mango furanone
 maple furanone
 maple lactone
 menthofuran
 menthone lactone
 mesitene lactone
2-methyl 3-(methyl thio) furan 10% in triacetin
2-methyl 5-(methyl thio) furan
3-methyl butyl 2-furyl butyrate
2-methyl butyraldehyde
 methyl cyclopentenolone
5-methyl furfural
 methyl furfuryl disulfide
2-methyl quinoxaline
5-methyl quinoxaline
2-methyl thio-3,5 or 6-methyl pyrazine
4-methyl-2,6-dimethoxyphenol
2-methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-methyl-5-isopropyl pyrazine
 nutty cyclohexenone
 orangeflower concrete morocco
 peanut oxazole
2-pentanoyl furan
 popcorn pyrimidine
2-propionyl thiazole
3-propylidene phthalide
 rosefuran
 shoyu furanone
 strawberry furanone
 strawberry furanone acetate
 tetrahydrofurfuryl acetate
 tetrahydrofurfuryl alcohol
2,3,5,6-tetramethyl pyrazine
2-thienyl mercaptan
2-thiophene thiol
 toffee furanone
 tonka bean absolute
 tonka bean resinoid
2,4,5-trimethyl thiazole
(E,E)-2,4-undecadien-1-al
2,4-undecadien-1-al
 valeraldehyde
isovaleraldehyde propylene glycol acetal
 vanilla oleoresin
 vanillyl isobutyrate
 whiskey lactone
2,6-xylenol

(odor and/or flavor) used in :
 almond
 apple
 asparagus
 barley
 bean
 beef roasted beef
 blackberry
 bread crisp bread
 bread white bread
 butterscotch
 caramel
 chocolate cocoa
 cloudberry bakeapple
 coffee
 cranberry
 dairy
 garlic
 grape brandy
 honey miel
 huckleberry bilberry
 lamb
 mango
 maple
 mushroom
 nut filbert
 nut macadamia
 nut peanut
 nut sesame
 onion
 passion fruit
 popcorn
 raspberry
 soybean
 tamarind
 tea green tea
 tomato
 trassi

natural occurrence in :
asparagus
barley roasted barley
bean
blackberry
data pagecistus oil @ 0.2%
cloudberry
cocoa
coffee
cranberry
filbert roasted filbert
garlic
data pagelavender oil spike spain @ 2.078%
macadamia nut
data pagemalpighia glabra l. fruit oil @ 0.20%
mango
meat cooked meat
milk
mushroom
onion
data pageosmanthus absolute @ trace%
passion fruit
peanut roasted peanut
popcorn
potato chip
raspberry fruit
sesame seed roasted
soya bean
tamarind
tea
data pagethyme oil spain @ 0.04%
tomato



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