caramel furanone solution
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IUPAC name :3-hydroxy-4,5-dimethyl-5H-furan-2-one
InChI :InChI=1/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
InChIKey :UNYNVICDCJHOPO-UHFFFAOYAI
SMILES :CC1C(=C(C(=O)O1)O)C
cas number :28664-35-9
% from :3.00%
(EINECS) number :249-136-4
fema number :3634
coe number :11834
jecfa number :243
fl. number :10.030
molar refractivity :30.78 ± 0.3 cm3
parachor :261.3 ± 6.0 cm3
index of refraction :1.512 ± 0.02
surface tension :42.2 ± 3.0 dyne/cm
density :1.249 ± 0.06 g/cm3
polarizability :12.20 ± 0.5 10-24cm3
XlogP : 1.00
XlogP3-AA : 0.40
molecular weight : 128.1259200 (IUPAC)
formula :C6 H8 O3
NMR Predictor :Predict
 
 
IUPAC name :propane-1,2-diol
InChI :InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey :DNIAPMSPPWPWGF-UHFFFAOYAE
SMILES :CC(CO)O
cas number :57-55-6
% from :97.00%
(EINECS) number :200-338-0
beilstein number :1340498
fema number :2940
coe number :2065
jecfa number :925
molar refractivity :18.97 ± 0.3 cm3
parachor :182.3 ± 4.0 cm3
index of refraction :1.430 ± 0.02
surface tension :38.0 ± 3.0 dyne/cm
density :1.036 ± 0.06 g/cm3
polarizability :7.52 ± 0.5 10-24cm3
XlogP : -0.70
XlogP3 : -0.90
molecular weight : 76.0944200 (IUPAC)
formula :C3 H8 O2
BioActivity Analysis :113462
NMR Predictor :Predict
 
 
export tariff code :2932.29.6000
fda reg :unspecified
Suppliers :
Advanced Biotech :caramel furanone
1% min. (in etoh) natural
Odor:  Alcoholic caramel
Advanced Biotech :caramel furanone
0.8% min. (in PG) natural
Odor:  Caramel, Maple
Advanced Biotech :caramel furanone
1% min. (in sunflower oil) natural
Odor:  Alcoholic caramel
Advanced Biotech :caramel furanone
3% min. (in PG) synthetic
Odor:  Alcoholic caramel
Apple :Fenugreeklactone
3%
Bedoukian Research :CARAMEL FURANONE (3% IN TRIACETIN)
≥97.0%, Kosher
Odor:  strong sweet caramel/maple
For sweet fragrances such as chocolate, vanilla, and maple.
Flavor:  caramel
For brown flavors such as chocolate, maple, coffee, toffee, vanilla, butterscotch.
Citrus and Allied Essences :Caramel Furanone
3% in pg
Givaudan :Sotolon
1% in PG, NI, Kosher
Odor:  Strong,Fenugreek,Lovage,Maple.
A strong chemical with a soupy character. On dilution it is useful in many fruit flavours.
Penta :caramel furanone
3% in p.g.
SAFC Global® :4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one
10 wt. % in propylene glycol, Kosher
Odor:  fennel; tobacco; woody; wine-like; coffee
SAFC Global® :4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one
3 wt. % in propylene glycol, Kosher
Odor:  caramel; celery; fennel; maple; tobacco; meaty; wine-like
TCI AMERICA :4,5-Dimethyl-3-hydroxy-2(5H)-furanone
(ca. 14% in Propylene Glycol, ca. 1.2mol/L)
Treatt :3-Hydroxy-4,5-dimethyl-3(5H)furanone
3% in propylene glycol
Vigon :Sotolone
Natural 0.1% in Fractionated Coconut Oil
Odor:  AROMATIC, FOOD-LIKE, SPICY
Vigon :Sotolone
Natural 0.1% in PG
Odor:  AROMATIC, FOOD-LIKE, SPICY
Vigon :Sotolone
3% In Triacetin
Odor:  Strong,Fenugreek,Lovage,Maple
Vigon :Sotolone
3% in PG
Odor:  AROMATIC, FOOD-LIKE, SPICY
organoleptics :
odor type :caramellic
odor strength :very high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in propylene glycol.  		extremely sweet strong caramel maple burnt sugar coffee
Luebke, William tgsc, (1999)
odor sample from :Takasago International Corp
substantivity :> 400 hour(s) at 3.00 % in propylene glycol
properties :
appearence :colorless to pale yellow clear oily liquid
Food Chemicals Codex Listed :No
specific gravity :1.03200 to 1.05200 @ 25.00 °C.
pounds per gallon - calc. : 8.587 to 8.754
refractive index :1.42900 to 1.43900 @ 20.00 °C.
boiling point : 184.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.40
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.  store under nitrogen.
safety :
most important hazard(s) :Xn - Harmful.
  R 20/22 - Harmful by inhalation and if swallowed.
R 36/37 - Irritating to eyes and respiratory system.
S 02 - Keep out of the reach of children.
S 07 - Keep container tightly closed.
S 09 - Keep container in a well-ventilated place.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 35 - This material and its container must be disposed of in a safe way.
S 36 - Wear suitable protective clothing.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.80 (μg/capita/day)
 
recommendation for caramel furanone solution fragrance usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for caramel furanone solution flavor usage levels up to :
  30.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
WGK Germany :3
 
 
 
 
3-hydroxy-4,5-dimethyl-5H-furan-2-one
(EINECS) number :249-136-4
chemidplus :028664359
EPA Substance Registry Services :28664-35-9
 
 
 
propane-1,2-diol
(EINECS) number :200-338-0
RTECS :TY2000000 for cas# 57-55-6
chemidplus :000057556
EPA Substance Registry Services :57-55-6
dtp/nci :69860
references :
 
3-hydroxy-4,5-dimethyl-5H-furan-2-one
fl. number :10.030
jecfa number :243
NIST Chemistry WebBook :41925784
pubchem :204979
Flavornet :28664-35-9
 
propane-1,2-diol
jecfa number :925
NIST Chemistry WebBook :3065598978
pubchem :148831
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 caramel furanone 10% in pg
 caramel furanone 3% in pg
 caramel furanone 3% in propylene glycol
 caramel furanone 3% in triacetin
 caramel lactone 10% in pg
 caramel lactone 3% in pg
 caramel lactone 3% in triacetin
 dimethyl oxyfurone 3% in pg
4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 10% in pg
4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one 3% in pg
4,5-dimethyl-3-hydroxy-2(5H)-furanone 3% in pg
2,3-dimethyl-4-hydroxy-2,5-dihydrofuran-5-one 3% in pg
 fenugreek lactone 10% in pg
 fenugreek lactone 3% in pg
 fenugreek lactone 3% in triacetin
2-hydroxy-3-methyl-2-penten-4-olide 3% in pg
3-hydroxy-4,5-dimethyl furan-2(5H)-one 3% in pg
3-hydroxy-4,5-dimethyl-5H-furan-2-one solution
 sugar lactone 10% in pg
 sugar lactone 3% in pg
 sugar lactone 3% in triacetin
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic fragrance
 antiperspirant
 detergent
 fabric softener
 soap
potential blenders :    note
 acetoinFL/FR
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
2-acetyl pyridineFL/FR
2-acetyl-2-thiazolineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 allyl 2-furoateFL
isoamyl 3-(2-furan) propionateFL/FR
para-anisyl acetateFL/FR
 beeswax absoluteFL/FR
 benzyl disulfideFL
 benzyl salicylateFL/FR
 berry furanoneFL/FR
 blood orange oilFL/FR
 butyl levulinateFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel dioneFL
 caramel pentadioneFL/FR
 cassia bark oilFL/FR
 coffee dioneFL/FR
 coffee furanoneFL
 currant bud absolute blackFL/FR
 cyclohexyl acetic acidFL
beta-damascenoneFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
 diacetylFL
 diethyl malateFL
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
2,3-dimethyl pyrazineFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl maltolFL/FR
 ethyl phenyl acetateFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl vanillinFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
2-ethyl-3,5(6)-dimethyl pyrazine mixtureFL
isoeugenyl acetateFL/FR
 fenugreek absoluteFL/FR
 fenugreek oleoresinFL
 fenugreek resinoidFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl valerateFL
 geranyl crotonateFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
gamma-heptalactoneFL/FR
3,4-hexane dioneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
 ionones 
 levulinic acidFL
 maltolFL/FR
 maltyl propionateFL/FR
 mango furanoneFL
 maple furanoneFL/FR
 maple lactoneFL/FR
 maple notes 
 melon heptenalFL/FR
 menthone lactoneFL/FR
2-mercaptomethyl pyrazineFL
 mesitene lactoneFR
3-methyl butyl 2-furyl butyrateFL
 methyl cyclopentenoloneFL/FR
 methyl dihydrojasmonateFL/FR
5-methyl furfuralFL/FR
 methyl octine carbonateFL/FR
 methyl phenyl acetateFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 mimosa absoluteFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-alFL/FR
 nutty cyclohexenoneFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 osmanthus absoluteFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
3-phenyl propyl alcoholFL/FR
isopropenyl pyrazineFL/FR
3-propylidene phthalideFL/FR
 raspberry ketoneFL/FR
 rose oxides 
 rosefuranFL/FR
 santallFR
 shoyu furanoneFL/FR
dextro-sorbitolCS
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
dextro,laevo-tartaric acidFL
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
2-thiophene thiolFL
(E)-tiglic acidFL/FR
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,4,5-trimethyl thiazoleFL/FR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
gamma-undecalactoneFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla oleoresinFL/FR
 vanillinFL/FR
 vanillyl isobutyrateFL/FR
 verymossFR
 violet leaf absoluteFL/FR
potential uses :
 allspice
 banana
 bay rum
 blackberry
 butterscotch
 candy cotton candy
 caramel
 cinnamon
 coconut
 coffee
 cranberry
 fenugreek
 fig
 fir
 fir balsam
 gingerbread
 honeysuckle chevrefeuille
 mango
 maple
 melon
 mulberry
 musk
 nut
 papaya
 passion fruit
 peach
 pina colada
 pineapple
 pomegranate
 pumpkin
 sugar brown sugar
 tobacco tabac tabaco
 toffee
 tonka
 vanilla
natural occurrence in :    note
 coffee  
 fenugreek S
 maple  
 pineapple  
 sake  
 sherry  
 tobacco virginia S

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