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
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :artemisia ketone
orders in chinese only.
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 :
Category :flavor and fragrance agents
 
recommendation for artemisyl ketone fragrance 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
Flavornet :546-49-6
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
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
 acetoin butyrateFL
6-acetoxydihydrotheaspiraneFL/FR
1-acetyl cyclohexyl acetateFL
 acetyl methyl anthranilateFL/FR
 allyl benzoateFR
 allyl phenoxyacetateFL/FR
 allyl phenyl acetateFL/FR
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
isoamyl 2-methyl butyrateFL/FR
alpha-amyl cinnamyl formateFL/FR
isoamyl phenyl acetateFL/FR
para-anisyl phenyl acetateFL/FR
para-anisyl propanalFR
 basil absolute sweetFL/FR
 beeswax absoluteFL/FR
 benzyl butyrateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 bisaboleneFL/FR
 blackberry thiophenoneFL/FR
 bornyl valerateFL/FR
 bran absoluteFR
 buchu mercaptanFL/FR
isobutyl angelateFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
isobutyl butyrateFL/FR
isobutyl heptanoateFL/FR
 butyl hexanoateFL/FR
isobutyl isovalerateFL/FR
isobutyl methyl ketoneFL/FR
 butyl phenyl acetateFL/FR
isobutyl quinolineFR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 campholene acetateFL/FR
alpha-campholenic alcoholFL/FR
alpha-campholenic aldehydeFL/FR
 cardamom absoluteFL/FR
 carnation absoluteFR
 chamomile flower oil germanyFL/FR
 chamomile oilFL/FR
 cinnamyl formateFL/FR
 cistus cyclohexanoneFL/FR
 citronellyl isovalerateFL/FR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl valerateFL/FR
 cocoa butenalFL/FR
 cocoa pentenalFL/FR
 conifer acetateFL/FR
 cornmint oilFL/FR
ortho-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
(-)-cubenol 
 cuminaldehydeFL/FR
isocyclogeraniolFR
 cyclohexyl acetic acidFL
 cyclohexyl ethyl acetateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
beta-damascenoneFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
 davana oilFL/FR
 decyl formateFR
 dihydro-alpha-iononeFL/FR
isodihydrolavandulalFL/FR
isodihydrolavandulolCS
isodihydrolavandulyl acetateCS
 dihydrorose oxideFR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 dimethyl octanyl acetateFL/FR
2,4-dimethyl-2-pentenoic acidFL
2,4-dimethyl-3-cyclohexene-1-methanolFR
 dodecanolFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 2-methyl-2-pentenoateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl 4-pentenoateFL/FR
2-ethyl butyric acidFL/FR
 ethyl cinnamateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl levulinateFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl ortho-anisateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl salicylateFL/FR
 ethyl valerateFL/FR
 eugenyl phenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 fig leaf absoluteFL
 filbert hexenoneFL/FR
 fir balsam absoluteFR
 fruity ketalFL/FR
 furfuryl isovalerateFL
(E)-furfurylidene phenyl acetaldehydeFL
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl anthranilateFR
 geranyl butyrateFL/FR
 geranyl isovalerateFL/FR
 geranyl phenyl acetateFL/FR
 guaiacyl phenyl acetateFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl isobutyrateFL/FR
 heptanalFL/FR
 heptanolFL/FR
 herbal cyclohexaneFR
 herbal dioxaneFR
 herbal ethanoneFR
 herbal heptaneFR
 herbal undecanolFR
 herbal undecanoneFR
(E,E)-2,4-hexadien-1-ol 
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
(E)-3-hexenoic acidFL
 hexyl hexanoateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 hyacinth acetalFL/FR
 hyacinth etherFR
 hyssop oilFL/FR
 immortelle absoluteFL/FR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
beta-ionyl acetateFL/FR
 ivy leaf absoluteFR
 juniper berry oleoresinFL/FR
 kewda absolute 
 kewda oil 
 leather propionateFR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 linalyl phenyl acetateFL/FR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 mango thiolFL/FR
 menthadienyl formateFR
para-menthane-3,8-diolFL/FR
dextro,laevo-menthyl acetateFL/FR
homomenthyl acetateFL/FR
laevo-menthyl acetateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-cinnamateFL/FR
 methyl 2-methyl valerateFL/FR
2'-methyl acetophenoneFL/FR
 methyl beta-ionolFR
 methyl butyl phenyl acetateFL/FR
 methyl cinnamateFL/FR
 methyl furfuryl disulfideFL/FR
 methyl heptanoateFL/FR
 methyl hydrocinnamateFL/FR
 methyl phenyl acetateFL/FR
 methyl propionateFL/FR
 methyl salicylateFL/FR
2-methyl-2-pentenoic acidFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
2-methyl-3-pentenoic acidFL/FR
4-methyl-4-phenyl pentanoneFR
 nerolin fragarolFL/FR
 neryl formateFL/FR
 neryl isobutyrateFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
 nonisyl formateFR
 nonyl benzoate 
(E)-2-octen-1-alFL/FR
3-octen-1-yl acetateFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(Z)-3-octen-1-yl propionateFL/FR
3-octen-2-oneFL/FR
(E)-2-octen-4-olFL
 octyl isovalerateFL/FR
 octyl propionateFL/FR
 orangeflower absoluteFL/FR
 orris root resinoidFL/FR
 osmanthus absoluteFL/FR
2-pentyl cyclopentanoneFR
 perillaldehydeFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl butyrateFL/FR
 phenethyl furoateFL/FR
 phenethyl hexanoateFL/FR
2-phenethyl isothiocyanateFL
 phenethyl phenyl acetateFL/FR
 phenethyl pivalateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetic acidFL/FR
 phenyl glycol diacetateFR
2-phenyl propyl alcoholFL/FR
3-phenyl propyl formateFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
 phenyl pyruvic acidFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
isophytolFL/FR
 piperitenone oxideFL
 piperitoneFL/FR
isopropenyl acetateFL/FR
 propyl acetateFL/FR
isopropyl anthranilateFL/FR
 propyl formateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 propyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
2-propyl thiazoleFL
 prune glycidateFR
isopulegolFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinyl phenyl acetateFL/FR
 rose absolute moroccoFL/FR
 rose carboxylateFR
 rose pyranFR
 santalyl phenyl acetateFL/FR
 seaweed absoluteFL/FR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 tansy oilFR
 tetrahydroionyl acetateFR
1,2,3,4-tetrahydroquinolineFR
 theaspiraneFL/FR
 thiogeraniolFL/FR
alpha-thujene 
 timber dioxolaneFR
4-(para-tolyl)-2-butanoneFL/FR
 tricyclodecyl acetateFR
 tropical indeneFR
 tropical trithianeFL/FR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 valeraldehydeFL/FR
 vanilla carboxylateFL/FR
 viridiflorolFL/FR
 waxy acetateFR
 wormwood oilFL/FR
 wormwood oil cubaFL/FR
 wormwood oil italyFL
 wormwood oil polandFL
potential uses :
 berry
 herbal
 honey miel
 mint
natural occurrence in :    note
data pageachillea tenuifolia lam. flower oil iran @ 1.00% S
 artemisia annua l. S
data pagechamomile flower oil germany @ 0.51% S
data pagelayana oil wild zimbabwe @ 6.30-14.90% S
data pagelayana oil zimbabwe @ 0.1% S
data pagesantolina oil @ 2.49% S
data pagetagete flower oil rwanda @ 0.30% S
data pagetagete oil rwanda @ 0.06% S
data pagetansy oil canada @ 23.50% S
data pagewormwood flower oil annus america @ 56.00% S
data pagewormwood leaf oil annus america @ 26.85-35.60% S
data pagewormwood oil annus france @ 11.91-55.02% S
data pagewormwood oil annus vietnam @ 4.42% S
data pagewormwood oil italy @ trace% S
data pageyarrow oil greece @ trace% S

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