methyl heptadienone
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :(3E)-6-methylhepta-3,5-dien-2-one
InChI :InChI=1/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+
InChIKey :KSKXSFZGARKWOW-GQCTYLIABO
SMILES :CC(=C\C=C\C(=O)C)C
cas number :1604-28-0
(EINECS) number :216-507-7
fema number :3363
coe number :11143
jecfa number :1134
fl. number :07.099
molar refractivity :39.09 ± 0.3 cm3
parachor :326.1 ± 4.0 cm3
index of refraction :1.452 ± 0.02
surface tension :25.7 ± 3.0 dyne/cm
density :0.857 ± 0.06 g/cm3
polarizability :15.50 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 124.1802800 (IUPAC)
formula :C8 H12 O
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(3Z)-6-methylhepta-3,5-dien-2-one
InChI :InChI=1/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4-
InChIKey :KSKXSFZGARKWOW-XQRVVYSFBZ
cas number :1604-28-0  (Z)
fema number :3363
molar refractivity :39.09 ± 0.3 cm3
parachor :326.1 ± 4.0 cm3
index of refraction :1.452 ± 0.02
surface tension :25.7 ± 3.0 dyne/cm
density :0.857 ± 0.06 g/cm3
polarizability :15.50 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 124.1802800 (IUPAC)
formula :C8 H12 O
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Penta :methyl heptadienone
Vigon :Methyl Heptadienone
Odor:  SPICY-FLORAL AND WOODY
organoleptics :
odor type :spicy
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		cinnamon coconut spice woody sweet weedy
Luebke, William tgsc, (1988)
odor sample from :Givaudan Corporation
odor description:
Sweet, green, spice-like with a cooling herbaceous nuance
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
taste description:
at 30.00 ppm.  		Green, sweet, with a brown herbal aftertaste
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
substantivity :48  Hour(s)
properties :
appearence :pale yellow clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.89800 @ 20.00 °C.
refractive index :1.53060 @ 20.00 °C.
boiling point : 190.00 °C. @ 760.00 mm Hg
boiling point : 83.50 °C. @ 9.00 mm Hg
flash point : 177.00  °F.  TCC  ( 80.56 °C. )
logP (o/w) : 1.66
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
IFRA critical Effect :Sensitization
limits in the finished product for - "leave on the skin contact" :
  0.0020 % Restriction.
limits in the finished product for - "wash off the skin contact" :
  0.0020 % Restriction.
limits in the finished product for - "no skin contact" :
  0.0200 % Restriction.
recommendation for methyl heptadienone fragrance usage levels up to :
  0.0200 % in the fragrance concentrate.
recommendation for methyl heptadienone flavor usage levels up to :
  30.0000 ppm in the flavor.
safety references :
EPI System :view
IFRA :IFRA - ( Found under : Methyl heptadienone (6- Methyl- 3,5- heptadienone) )
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
 
 
 
(3E)-6-methylhepta-3,5-dien-2-one
(EINECS) number :216-507-7
chemidplus :001604280
EPA Substance Registry Services :1604-28-0
 
(3Z)-6-methylhepta-3,5-dien-2-one
references :
 
(3E)-6-methylhepta-3,5-dien-2-one
fl. number :07.099
jecfa number :1134
NIST Chemistry WebBook :1296159752
pubchem :203794
 
(3Z)-6-methylhepta-3,5-dien-2-one
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 :
2-methyl hepta-2,4-dien-6-one
6-methyl hepta-3,5-dien-2-one
6-methyl-3,5-heptadien-2-one
(3E)-6-methylhepta-3,5-dien-2-one
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
potential blenders :    note
 basil oilFL/FR
 basil oil CO2 sweetFL/FR
 benzylidene acetoneFL
isobutyl angelateFL/FR
 canella bark oilFR
 carrot leaf oilFR
 carrot seed oilFL/FR
 carrot seed oil spainFR
 carrot weed oilFL/FR
 cassia bark oilFL/FR
 cassia concreteFR
 cassia leaf oil chinaFL/FR
 cassia oleoresinFL
 cassie absoluteFL/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 acroleinFL/FR
 cinnamon bark oilFL/FR
 cinnamon bark oil (cinnamomum zeylanicum blume) indiaFL/FR
 cinnamyl alcoholFL/FR
(E)-cinnamyl alcoholFL/FR
 cinnamyl nitrileFR
(E)-cinnamyl nitrileFR
 citronella oil javaFR
 coriander oleoresinFL
 cumin seed absoluteFL/FR
 currant bud absolute blackFL/FR
 dill weed oilFL/FR
 dill weed oil reunionFL/FR
 fennel seed oilFL/FR
2-furfurylidene butyraldehydeFL
 geranium oilFL/FR
 guaiyl acetateFL/FR
(E,E)-2,4-hexadien-1-alFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 lychee mercaptan acetateFL/FR
ortho-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
alpha-methyl cinnamaldehydeFL/FR
para-methyl cinnamaldehydeFL/FR
 methyl heptadienoneFL/FR
 methyl hexyl ketoneFL/FR
bis(methyl thio) methaneFL
 myrtenalFL/FR
2-octanolFL/FR
3-phenyl propyl acetateFL/FR
2-phenyl propyl alcoholFL/FR
 phenyl propyl phenyl acetateFL/FR
 rose absoluteFL/FR
 thyme absoluteFL/FR
potential uses :
 cinnamon
 coconut
 melon watermelon muskmelon cantaloupe
 spice
 tea herbal tea
natural occurrence in :    note
 lavandin  
data pagelavender oil spike france @ trace% S
data pagelemon verbena oil turkey @ 0.08% S
 pea green pea  
 tea green tea  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 02/21/2010