EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

chamomile octenone
isotagetone

Supplier Sponsors

Name:(E)-2,7-dimethyloct-5-en-4-one
CAS Number: 68419-46-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:270-267-8
Nikkaji Web:J1.954.849J
XlogP3-AA:2.80 (est)
Molecular Weight:154.25266000
Formula:C10 H18 O
NMR Predictor:Predict (works with chrome or firefox)
Name:(Z)-2,7-dimethyloct-5-en-4-one
CAS Number: 68419-46-5 (Z)Picture of molecule3D/inchi
XlogP3-AA:2.80 (est)
Molecular Weight:154.25266000
Formula:C10 H18 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 50.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.84200 to 0.84500 @ 20.00 °C.
Pounds per Gallon - (est).: 7.014 to 7.039
Refractive Index:1.43900 to 1.44200 @ 20.00 °C.
Boiling Point: 209.00 to 210.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.190000 mm/Hg @ 25.00 °C. (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 2.851 (est)
Soluble in:
 alcohol
 water, 154.5 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:16 hour(s) at 100.00 %
tagette chamomile animal fruity
Odor Description:at 10.00 % in dipropylene glycol. tagette chamomile animal fruity
Luebke, William tgsc, (1985)
Odor sample from: Union Camp Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Taytonn
isoTagetone 50
Odor: Chamomile, Fruity, Tagette
The John D. Walsh Company
isoTagetone 50
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for chamomile octenone usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for chamomile octenone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68419-46-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :1738173
National Institute of Allergy and Infectious Diseases:Data
(E)-2,7-dimethyloct-5-en-4-one
Chemidplus:0068419465
(Z)-2,7-dimethyloct-5-en-4-one
 
References:
 (E)-2,7-dimethyloct-5-en-4-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68419-46-5
Pubchem (cid):1738173
Pubchem (sid):135052307
 (Z)-2,7-dimethyloct-5-en-4-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68419-46-5
Pubchem (cid):1550577
Pubchem (sid):89348
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:3302.90.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
anisic
amyl furoate
FL/FR
caramellic
diethyl malate
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetone
FL/FR
butyl tiglate
FR
cassis cyclohexene
FR
citronellyl isovalerate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
menthadienyl formate
FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonanone
FL/FR
rose undecene
FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
violet methyl carbonate
FR
fruity
para-
anisyl propionate
FL/FR
heptyl butyrate
FL/FR
linalyl hexanoate
FL/FR
para-
menth-1-ene-9-ol
FL/FR
2-
methyl butyl isovalerate
FL/FR
nigella damascena absolute
FR
green
iso
butyl heptanoate
FL/FR
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
hexyl tiglate
FL/FR
herbal
iso
amyl heptanoate
FL/FR
buchu mercaptan acetate
FL/FR
butyl levulinate
FL/FR
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
cuminyl acetate
FL/FR
herbal acetal
FR
levisticum officinale root absolute
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
methyl hexyl ether
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
3-
octanon-1-ol
FL/FR
rue oil
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
tagette carboxylate
FR
tricyclodecenyl propionate
FR
viridiflorol
FL/FR
musk
musk nonane
FR
orris
orris capronate
FL/FR
spicy
levisticum officinale root oil
FL/FR
sulfurous
ethyl 3-mercaptopropionate
FL/FR
passiflora acetate
FL/FR
woody
cistus twig/leaf oil
FL/FR
For Flavor
No flavor group found for these
iso
amyl angelate
FL/FR
amyl furoate
FL/FR
para-
anisyl propionate
FL/FR
benzyl methyl tiglate
FL
iso
butyl heptanoate
FL/FR
citronellyl isovalerate
FL/FR
cuminyl acetate
FL/FR
diethyl malate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
ethyl 4-pentenoate
FL/FR
linalyl hexanoate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
nonan-3-yl acetate
FL/FR
3-
octanon-1-ol
FL/FR
viridiflorol
FL/FR
acidic
acidic
(E)-2-
hexenoic acid
FL
ethereal
methyl hexyl ether
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
fruity
benzyl acetone
FL/FR
buchu mercaptan acetate
FL/FR
butyl heptanoate
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
green
iso
butyl methyl ketone
FL/FR
heptyl butyrate
FL/FR
hexyl tiglate
FL/FR
3-
nonanone
FL/FR
herbal
iso
amyl heptanoate
FL/FR
butyl levulinate
FL/FR
para-
menth-1-ene-9-ol
FL/FR
rue oil
FL/FR
orris
orris capronate
FL/FR
spicy
levisticum officinale root absolute
FL/FR
levisticum officinale root oil
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
passiflora acetate
FL/FR
woody
cistus twig/leaf oil
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FRaldehydic
FRchamomile
FRchypre
FRcitrus
FRgeranium
FRgrapefruit
FRgreen
FRlavender
FL/FRmarigold
 natural
FRneroli
FRoriental
FRrose
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 chamomile octenone
2,7-dimethyl oct-5-en-4-one
2,7-dimethyl-5-octen-4-one
(E)-2,7-dimethyl-oct-5-en-4-one
2,7-dimethyl-oct-5-en-4-one
(5E)-2,7-dimethyloct-5-en-4-one
(E)-2,7-dimethyloct-5-en-4-one
2,7-dimethyloct-5-en-4-one
5-octen-4-one, 2,7-dimethyl-
5-octen-4-one,2,7-dimethyl-
isotagetone
 

Articles:

 None found yet.
 
Notes:
Accentuate grapefruit notes. Application Information Perfumery - Can be used to impart novel notes to many fragrances, especially aldehydic, chypre, citrus-neroli, green, and oriental types. Produces a dramatic effect in simulations of natural products; particularly geranium, rose and lavender. Isotagetone 50 has been evaluated in a variety of media for compatibility and stability of odor and color. These test have shown that, in the concentrations at which it is normally used, it is effective in fragrances for: Concentrated fragrances, toilet waters, aerosol and spray colognes, soaps, detergent powders (high and low foam types), bleach (hypochlorite).
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