artemisyl ketone
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IUPAC name :3,3,6-trimethylhepta-1,5-dien-4-one
InChI :InChI=1/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3
InChIKey :OTYVBQZXUNBRTK-UHFFFAOYAK
SMILES :CC(=CC(=O)C(C)(C)C=C)C
cas number :546-49-6
(EINECS) number :208-903-3
fl. number :07.204
molar refractivity :47.99 ± 0.3 cm3
parachor :402.5 ± 4.0 cm3
index of refraction :1.448 ± 0.02
surface tension :25.4 ± 3.0 dyne/cm
density :0.849 ± 0.06 g/cm3
polarizability :19.02 ± 0.5 10-24cm3
XlogP : 2.60
XlogP3-AA : 3.10
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :artemisia ketone

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 100.00 %.  
herbal honey mint berry

properties :
appearence :pale yellow to yellow green clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89600 @ 20.00 °C.
refractive index :1.46600 @ 20.00 °C.
boiling point : 182.00 °C. @ 760.00 mm Hg
flash point : 135.00  °F.  TCC  ( 57.22 °C. )
logP (o/w) : 2.64
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for artemisyl ketone usage levels up to :
  0.8000 % in the fragrance concentrate.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
WISER :UN 1224
 
 
 
 3,3,6-trimethylhepta-1,5-dien-4-one
(EINECS) number :208-903-3
chemidplus :000546496
EPA Substance Registry Services :546-49-6

references :
 3,3,6-trimethylhepta-1,5-dien-4-one
fl. number :07.204
NIST Chemistry WebBook :3825084419
pubchem :210466

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 artemisia ketone
3,3,6-trimethyl-1,5-heptadien-4-one
2,5,5-trimethyl-1,6-heptadien-4-one`
3,3,6-trimethylhepta-1,5-dien-4-one

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 acetoin butyrate
6-acetoxydihydrotheaspirane
1-acetyl cyclohexyl acetate
 acetyl methyl anthranilate
 allyl benzoate
 allyl phenoxyacetate
 allyl phenyl acetate
 allyl tiglate
 ambrette seed absolute
delta6-isoambrettolide
isoamyl 2-methyl butyrate
alpha-amyl cinnamyl formate
isoamyl phenyl acetate
para-anisyl phenyl acetate
para-anisyl propanal
 basil absolute sweet
 beeswax absolute
 benzyl butyrate
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 bisabolene
 blackberry thiophenone
 bornyl valerate
 bran absolute
 buchu mercaptan
isobutyl angelate
 butyl anthranilate
isobutyl anthranilate
isobutyl butyrate
isobutyl heptanoate
 butyl hexanoate
isobutyl isovalerate
isobutyl methyl ketone
 butyl phenyl acetate
isobutyl quinoline
2-sec-butyl thiazole
4-butyl thiazole
 butyl valerate
isobutyl-3-(methyl thio) butyrate
 campholene acetate
alpha-campholenic alcohol
alpha-campholenic aldehyde
 cardamom absolute
 carnation absolute
 chamomile flower oil germany
 chamomile oil
 cinnamyl formate
 cistus cyclohexanone
 citronellyl isovalerate
 citronellyl oxyacetaldehyde
 citronellyl phenyl acetate
 citronellyl valerate
 cocoa butenal
 cocoa pentenal
 conifer acetate
 cornmint oil
ortho-cresyl isobutyrate
para-cresyl phenyl acetate
(-)-cubenol
 cuminaldehyde
isocyclogeraniol
 cyclohexyl acetic acid
 cyclohexyl ethyl acetate
2-cyclopentyl cyclopentanone
beta-damascenone
(E)-beta-damascone
(Z)-beta-damascone
alpha-damascone
beta-damascone
 davana oil
 decyl formate
 dihydro-alpha-ionone
isodihydrolavandulal
isodihydrolavandulol
isodihydrolavandulyl acetate
 dihydrorose oxide
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
 dimethyl octanyl acetate
2,4-dimethyl-2-pentenoic acid
2,4-dimethyl-3-cyclohexene-1-methanol
 dodecanol
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 2-methyl-2-pentenoate
 ethyl 3-oxohexanoate
 ethyl 4-pentenoate
2-ethyl butyric acid
 ethyl cinnamate
 ethyl hydrocinnamate
 ethyl levulinate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl ortho-anisate
 ethyl phenyl acetate
 ethyl salicylate
 ethyl valerate
 eugenyl phenyl acetate
isoeugenyl phenyl acetate
 fig leaf absolute
 filbert hexenone
 fir balsam absolute
 fruity ketal
 furfuryl isovalerate
(E)-furfurylidene phenyl acetaldehyde
 geranium oil africa
 geranium oil egypt
 geranyl anthranilate
 geranyl butyrate
 geranyl isovalerate
 geranyl phenyl acetate
 guaiacyl phenyl acetate
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl isobutyrate
 heptanal
 heptanol
 herbal cyclohexane
 herbal dioxane
 herbal ethanone
 herbal heptane
 herbal undecanol
 herbal undecanone
(E,E)-2,4-hexadien-1-ol
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
(E)-2-hexen-1-yl phenyl acetate
(E)-3-hexenoic acid
 hexyl hexanoate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hop absolute
 hop oil
 hyacinth acetal
 hyacinth ether
 hyssop oil
 immortelle absolute
beta-ionone
beta-ionone epoxide
beta-ionyl acetate
 ivy leaf absolute
 juniper berry oleoresin
 kewda absolute
 kewda oil
 leather propionate
 linalyl formate
 linalyl octanoate
 linalyl phenyl acetate
 maltyl isobutyrate
 maltyl propionate
 mango thiol
 menthadienyl formate
para-menthane-3,8-diol
dextro,laevo-menthyl acetate
homomenthyl acetate
laevo-menthyl acetate
 methyl (E)-2-hexenoate
 methyl (E)-cinnamate
 methyl 2-methyl valerate
2'-methyl acetophenone
 methyl beta-ionol
 methyl butyl phenyl acetate
 methyl cinnamate
 methyl furfuryl disulfide
 methyl heptanoate
 methyl hydrocinnamate
 methyl phenyl acetate
 methyl propionate
 methyl salicylate
2-methyl-2-pentenoic acid
(E)-6-methyl-3-hepten-2-one
2-methyl-3-pentenoic acid
4-methyl-4-phenyl pentanone
 nerolin fragarol
 neryl formate
 neryl isobutyrate
(Z,Z)-3,6-nonadien-1-ol
(Z)-6-nonen-1-ol
(E)-5-nonen-2-one
3-nonen-2-one
 nonisyl formate
 nonyl benzoate
(E)-2-octen-1-al
3-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
(Z)-3-octen-1-yl propionate
3-octen-2-one
(E)-2-octen-4-ol
 octyl isovalerate
 octyl propionate
 orangeflower absolute
 orris root resinoid
 osmanthus absolute
2-pentyl cyclopentanone
 perillaldehyde
 phenethyl acetate
 phenethyl anthranilate
 phenethyl benzoate
 phenethyl butyrate
 phenethyl furoate
 phenethyl hexanoate
2-phenethyl isothiocyanate
 phenethyl phenyl acetate
 phenethyl pivalate
 phenethyl propionate
 phenyl acetaldehyde
 phenyl acetic acid
 phenyl glycol diacetate
2-phenyl propyl alcohol
3-phenyl propyl formate
3-phenyl propyl isovalerate
 phenyl propyl valerate
 phenyl pyruvic acid
(E)-2-phenyl-1(2)-propene-1-yl acetate
isophytol
 piperitenone oxide
 piperitone
isopropenyl acetate
 propyl acetate
isopropyl anthranilate
 propyl formate
 propyl heptanoate
isopropyl hexanoate
 propyl isobutyrate
 propyl phenyl acetate
isopropyl phenyl acetate
2-propyl thiazole
 prune glycidate
isopulegol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinyl phenyl acetate
 rose absolute morocco
 rose carboxylate
 rose pyran
 santalyl phenyl acetate
 seaweed absolute
 strawberry furanone
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl butyrate
 tansy oil
 tetrahydroionyl acetate
1,2,3,4-tetrahydroquinoline
 theaspirane
 thiogeraniol
alpha-thujene
 timber dioxolane
4-(para-tolyl)-2-butanone
 tricyclodecyl acetate
 tropical indene
 tropical trithiane
 tuberose absolute
 tuberose absolute concrete
 valeraldehyde
 vanilla carboxylate
 viridiflorol
 waxy acetate
 wormwood oil
 wormwood oil cuba
 wormwood oil italy
 wormwood oil poland

(odor and/or flavor) used in :
 berry
 herbal
 honey miel
 mint

natural occurrence in :
data pageachillea tenuifolia lam. flower oil iran @ 1.00%
artemisia annua l.
data pagechamomile flower oil germany @ 0.51%
data pagelayana oil wild zimbabwe @ 6.30-14.90%
data pagelayana oil zimbabwe @ 0.1%
data pagesantolina oil @ 2.49%
data pagetagete flower oil rwanda @ 0.30%
data pagetagete oil rwanda @ 0.06%
data pagetansy oil canada @ 23.50%
data pagewormwood flower oil annus america @ 56.00%
data pagewormwood leaf oil annus america @ 26.85-35.60%
data pagewormwood oil annus france @ 11.91-55.02%
data pagewormwood oil annus vietnam @ 4.42%
data pagewormwood oil italy @ trace%
data pageyarrow oil greece @ trace%



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Html Last modified 11/15/2009