menthone lactone
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IUPAC name :4-methyl-7-propan-2-yloxepan-2-one
InChI :InChI=1/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3
InChIKey :GGAXPLCKKANQED-UHFFFAOYAY
cas number :499-54-7
(EINECS) number :207-882-8
fema number :3355
coe number :11833
jecfa number :237
fl. number :10.027
molar refractivity :47.97 ± 0.3 cm3
parachor :420.3 ± 6.0 cm3
index of refraction :1.435 ± 0.02
surface tension :27.3 ± 3.0 dyne/cm
density :0.926 ± 0.06 g/cm3
polarizability :19.02 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
 
 
export tariff code :2932.29.6000
fda reg :unspecified

Suppliers :
Nanjing :2-oxepanone,4-methyl-7-isopropyl-
orders in chinese.

organoleptics :
odor type :caramellic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in propylene glycol.  
maple syrup brown sugar

properties :
appearence :colorless solid
assay : 62.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96600 to 0.97300 @ 25.00 °C.
pounds per gallon - calc. : 8.038 to 8.096
refractive index :1.45700 to 1.46100 @ 20.00 °C.
boiling point : 247.00 to 248.00 °C. @ 760.00 mm Hg
flash point : 205.00  °F.  TCC  ( 96.11 °C. )
logP (o/w) : 2.23

safety :
Oral Toxicity(LD50) : 
  Gavage-Rat   [sex: M,F]  >5000.00  mg/kg
(Lewis & Palanker, 1979a)

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) :0.012 (μg/capita/day)
 
recommendation for menthone lactone fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for menthone lactone flavor usage levels up to :
  1000.0000 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
4-methyl-7-propan-2-yloxepan-2-one
(EINECS) number :207-882-8
chemidplus :000499547
EPA Substance Registry Services :499-54-7

references :
 
4-methyl-7-propan-2-yloxepan-2-one
fl. number :10.027
jecfa number :237
NIST Chemistry WebBook :944250130
pubchem :203634

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
3,7-dimethyl octano-1,6-lactone
6-hydroxy-3,7-dimethyl caprylic acid epsilon-lactone
6-hydroxy-3,7-dimethyl octanoic acid lactone
 menthone lactone
3-methyl-6-isopropyl-6-hexanolide
4-methyl-7-(1-methyl ethyl)-2-oxepanone
4-methyl-7-propan-2-yloxepan-2-one
isopropyl methyl oxepanone
7-isopropyl-4-methyl oxepan-2-one

soluble in :
 alcohol
 water

potential blenders :    note
 berry furanoneFL/FR
 bran absoluteFR
2-isobutyl-3-methyl pyrazineFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 coffee dioneFL/FR
beta-damascenoneFL/FR
 diethyl malateFL
 ethyl cyclopentenoloneFL/FR
 ethyl maltolFL/FR
2-ethyl-3,5(6)-dimethyl pyrazine mixtureFL
 fenugreek absoluteFL/FR
 fenugreek oleoresinFL
 fenugreek resinoidFL/FR
 geranyl crotonateFR
 maple furanoneFL/FR
 maple lactoneFL/FR
2-mercaptomethyl pyrazineFL
 mesitene lactoneFR
 methyl cyclopentenoloneFL/FR
5-methyl furfuralFL/FR
isopropenyl pyrazineFL/FR
3-propylidene phthalideFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 toffee furanoneFL/FR

potential uses :
 pennyroyal
 peppermint

natural occurrence in :    note
 found in nature  

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