mesitene lactone
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IUPAC name :4,6-dimethylpyran-2-one
InChI :InChI=1/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
InChIKey :IXYLIUKQQQXXON-UHFFFAOYAS
SMILES :CC1=CC(=O)OC(=C1)C
cas number :675-09-2
(EINECS) number :211-618-7
beilstein number :0002468
molar refractivity :33.40 ± 0.3 cm3
parachor :274.0 ± 6.0 cm3
index of refraction :1.485 ± 0.02
surface tension :30.5 ± 3.0 dyne/cm
density :1.065 ± 0.06 g/cm3
polarizability :13.24 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 124.1372200 (IUPAC)
formula :C7 H8 O2
NMR Predictor :Predict
 
 
export tariff code :2932.29.5050
fda reg :unspecified

Suppliers :
Givaudan :Levistamel
30%/TEC
Odor:  Sweet, Caramel, Licorice, Balsamic
Vigon :Levistamel
30% in TEC

organoleptics :
odor type :caramellic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet caramel sugar green balsam

properties :
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 48.00 to 50.00 °C. @ 760.00 mm Hg
boiling point : 245.00 to 246.00 °C. @ 760.00 mm Hg
flash point : 235.00  °F.  TCC  ( 112.78 °C. )
logP (o/w) : 0.85

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Intraperitoneal-Mouse    750.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for mesitene lactone usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for mesitene lactone usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 4,6-dimethylpyran-2-one
(EINECS) number :211-618-7
RTECS :UQ0700000 for 675-09-2
chemidplus :000675092
EPA Substance Registry Services :675-09-2
dtp/nci :402790

references :
 4,6-dimethylpyran-2-one
NIST Chemistry WebBook :774553284
pubchem :155996

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
4,6-dimethyl coumalin
4,6-dimethyl pyran-2-one
4,6-dimethyl-2H-pyran-2-one
4,6-dimethyl-alpha-pyrone
4,6-dimethylpyran-2-one
 levistamel

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin
2-acetyl furan
 acetyl propionyl
3-acetyl-2,5-dimethyl furan
2-acetyl-3,4,5,6-tetrahydropyridine
2-acetyl-3,5(or 6)-dimethyl pyrazine
 allyl 2-furoate
 amber dodecane
isoamyl 3-(2-furan) propionate
 angelica root oil
 benzyl disulfide
 birch bud oil
isobutyl angelate
isobutyl benzyl carbinol
 butyl levulinate
3-butyl phthalide
3-butylidene phthalide
2-oxobutyric acid
gamma-butyrolactone
 caramel dione
 caramel furanone
 caramel pentadione
 celery ketone
 celery leaf oil
 celery seed oil
 celery seed oil CO2 extract
 celery seed oleoresin
 celery undecene
 cyclohexyl acetic acid
 cyclopentyl mercaptan
 diacetyl
2,5-diethyl tetrahydrofuran
alpha,alpha-dimethyl anisyl acetone
2,3-dimethyl pyrazine
 ethyl (E)-crotonate
 ethyl 2-hydroxy-2-methyl butyrate
 ethyl 4-pentenoate
 ethyl cyclopentenolone
 ethyl maltol
 ethyl pyruvate
(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
 fenugreek absolute
 furfuryl acetone
 furfuryl alcohol
 furfuryl octanoate
 furfuryl valerate
 galbanum absolute
 geranyl crotonate
gamma-heptalactone
 hexahydrofarnesyl acetone
3,4-hexane dione
5-hydroxymethyl furfural
 immortelle absolute
(Z)-jasmone
isojasmone
 levulinic acid
 lovage herb oil
 lovage oleoresin
 lovage root absolute
 lovage root oil
 maltol
 maltyl propionate
 mango furanone
 maple furanone
 maple lactone
 menthone lactone
 mesitene lactone
3-methyl butyl 2-furyl butyrate
 methyl cyclopentenolone
5-methyl furfural
4-methyl-2,6-dimethoxyphenol
 nutty cyclohexenone
 peanut oxazole
2-pentadecanone
2-pentanoyl furan
3-propylidene phthalide
 rosefuran
 shoyu furanone
dextro-sorbitol
 strawberry furanone
 strawberry furanone acetate
 sweet pea absolute
dextro,laevo-tartaric acid
 tetrahydrofurfuryl acetate
 tetrahydrofurfuryl alcohol
2-thiophene thiol
(E)-tiglic acid
 toffee furanone
 tonka bean absolute
 tonka bean resinoid
(E,E)-2,4-undecadien-1-al
2,4-undecadien-1-al
 vanilla oleoresin
 vanillyl isobutyrate
 verbenone
 whiskey lactone

(odor and/or flavor) used in :
 balsam
 caramel
 coffee
 fir
 herbal
 pine
 spice
 sugar
 vanilla

natural occurrence in :
not found in nature



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