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bergamot acetoacetate
neobergamate

Sponsors

Name:(2-methyl-6-methylideneoct-7-en-2-yl) acetate
CAS Number: 69103-01-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:273-868-3
FDA UNII:4BS9397SE5
Nikkaji Web:J42.533H
Beilstein Number:1768049
XlogP3-AA:3.60 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92400 to 0.93800 @ 20.00 °C.
Pounds per Gallon - (est).: 7.698 to 7.814
Refractive Index:1.46200 to 1.46600 @ 20.00 °C.
Boiling Point: 257.00 to 258.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.015000 mm/Hg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 3.765 (est)
Soluble in:
 alcohol
 water, 4.409 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
amyl acetoacetate
isoamyl acetoacetate
para-anisyl acetoacetate
benzyl acetoacetate
butyl acetoacetate
isobutyl acetoacetate
cinnamyl acetoacetate
cyclohexyl acetoacetate
dodecyl acetoacetate
ethyl 2-ethyl acetoacetate
ethyl acetoacetate
geranyl acetoacetate
heptyl acetoacetate
(Z)-3-hexen-1-yl acetoacetate
hexyl acetoacetate
jasmin acetoacetate
laevo-menthyl acetoacetate
methyl acetoacetate
spicy acetoacetate
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium
Substantivity:12 hour(s) at 100.00 %
fresh herbal bergamot cortex floral buchu
Odor Description:at 100.00 %. fresh herbal bergamot stem floral buchu
Luebke, William tgsc, (1987)
Odor sample from: Naarden International
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data2
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
CG Herbals
Neobergamate Forte
Odor: Bergamot, Powerful and fresh citrus with a floral, herbaceous heart
Use: Widely used in nearly all product areas. Usually dosed at 2 or 3% in fabric detergents and upto 10% in toilet soaps. Excellent for adding a fresh citrus lime effect.
Lluch Essence
NEOBERGAMATE FORTE
Vigon International
Neobergamate Forte
Odor: Fresh herbal bergamot stem floral buchu
 
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 bergamot acetoacetate usage levels up to:
  12.0000 % in the fragrance concentrate.
 
Recommendation for bergamot acetoacetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):69103-01-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14235
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
(2-methyl-6-methylideneoct-7-en-2-yl) acetate
Chemidplus:0069103011
 
References:
 (2-methyl-6-methylideneoct-7-en-2-yl) acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:69103-01-1
Pubchem (cid):14235
Pubchem (sid):134979621
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.9050
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
propyl cinnamate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
citrus
beta-
bisabolol
FL/FR
dihydromyrcenyl acetate
FR
2-
heptanol
FL/FR
alpha-
methylene citronellal
FR
myrcenyl acetate
FL/FR
alpha-
terpinyl methyl ether
FL/FR
earthy
octyl phenyl acetate
FL/FR
fatty
(E)-2-
decenal
FL/FR
floral
iso
amyl salicylate
FL/FR
amyl salicylate
FL/FR
anisyl propanal / methyl anthranilate schiff's base
FR
bois de rose oil brazil
FL/FR
butyl tiglate
FR
(S)-
citronellyl acetate
FL/FR
citronellyl formate
FL/FR
coranol (Firmenich)
FR
coriander seed oil
FL/FR
dihydrolinalool
FL/FR
dimethyl benzyl carbinol
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
herbal pyran
FR
ho leaf oil
FR
ho wood oil
FR
beta-
ionol
FL/FR
(Z)-
jasmone
FL/FR
karo karounde absolute
FR
abrialis
lavandin oil
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
linalool
FL/FR
dextro-
linalool
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
linalyl benzoate
FL/FR
linalyl butyrate
FL/FR
linalyl propionate
FL/FR
neryl isovalerate
FL/FR
ocean propanal / methyl anthranilate schiff's base
FR
(Z)-beta-
ocimene
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
iso
phytol
FL/FR
prenyl salicylate
FL/FR
iso
propyl phenyl acetate
FL/FR
laevo-
rose oxide
FL/FR
terpinyl isobutyrate
FL/FR
tetrahydrolinalool
FL/FR
tetrahydrolinalyl acetate
FR
fruity
linalyl isobutyrate
FL/FR
nerolidyl isobutyrate
FR
ocimen-1-yl acetate
FR
green
iso
butyl benzyl carbinol
FL/FR
2-iso
butyl thiazole
FL/FR
coriander heptenol
FL/FR
cumin acetaldehyde
FL/FR
heptyl formate
FL/FR
3-
hexenal
FL/FR
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
3,6-
ivy carbaldehyde
FL/FR
2,4-
ivy carbaldehyde
FL/FR
ivy dioxolane
FR
leafy oxime
FR
dextro-
linalyl acetate
FL/FR
laevo-
linalyl acetate
FL/FR
narcissus flower absolute
FR
phenethyl acetal
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
phenoxyacetaldehyde 50% in peomosa
FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl quinoline
FR
herbal
bergamot mint herb oil
FR
buchu oxime
FR
cananga fruit oil
FR
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
chamomile isobutyrate
FR
chrysanthemum ketone
FR
clary octenone
FR
coriander seed absolute
FL/FR
cuminyl acetate
FL/FR
lavender absolute bulgaria
FL/FR
lavender stem oil lithuania
FR
linalyl acetate
FL/FR
linalyl formate
FL/FR
linalyl isovalerate
FL/FR
methyl cyclogeranate (Firmenich)
FR
methyl ortho-anisate
FL/FR
myrtle oil
FL/FR
nopyl acetate
FR
3-
octyl acetate
FL/FR
terpineol acetate
FL/FR
alpha-
terpinyl acetate
FL/FR
minty
diosphenol
FL/FR
(R)-(+)-
pulegone
FR
spicy
carnation absolute
FR
cubeb oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
mango thiol
FL/FR
passiflora acetate
FL/FR
waxy
allyl nonanoate
FL/FR
woody
2-
decalinyl acetate
FR
alpha-
farnesene
FL/FR
For Flavor
No flavor group found for these
coriander heptenol
FL/FR
cuminyl acetate
FL/FR
diosphenol
FL/FR
ethyl linalyl ether
FL/FR
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
dextro-
linalool
FL/FR
dextro-
linalyl acetate
FL/FR
laevo-
linalyl acetate
FL/FR
linalyl formate
FL/FR
methyl ortho-anisate
FL/FR
octyl phenyl acetate
FL/FR
terpineol acetate
FL/FR
terpinyl isobutyrate
FL/FR
tetrahydrofurfuryl cinnamate
FL/FR
amber
amber
iso
butyl benzyl carbinol
FL/FR
aromatic
amyl salicylate
FL/FR
citrus
beta-
bisabolol
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
myrcenyl acetate
FL/FR
fatty
heptyl formate
FL/FR
floral
bois de rose oil brazil
FL/FR
(S)-
citronellyl acetate
FL/FR
dihydrolinalool
FL/FR
beta-
ionol
FL/FR
linalyl acetate
FL/FR
linalyl anthranilate
FL/FR
linalyl benzoate
FL/FR
linalyl butyrate
FL/FR
linalyl isobutyrate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
laevo-
rose oxide
FL/FR
tetrahydrolinalool
FL/FR
fruity
citronellyl formate
FL/FR
2-
heptanol
FL/FR
linalyl isovalerate
FL/FR
neryl isovalerate
FL/FR
propyl cinnamate
FL/FR
green
iso
amyl salicylate
FL/FR
2-iso
butyl thiazole
FL/FR
cumin acetaldehyde
FL/FR
alpha-
farnesene
FL/FR
3-
hexenal
FL/FR
2,4-
ivy carbaldehyde
FL/FR
3,6-
ivy carbaldehyde
FL/FR
linalool oxide
FL/FR
(Z)-beta-
ocimene
FL/FR
3-
octyl acetate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
herbal
coriander seed absolute
FL/FR
coriander seed oil
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
abrialis
lavandin oil
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender absolute bulgaria
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
linalyl propionate
FL/FR
prenyl salicylate
FL/FR
honey
iso
propyl phenyl acetate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
oily
iso
phytol
FL/FR
spicy
cubeb oil
FL/FR
myrtle oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
mango thiol
FL/FR
tropical
passiflora acetate
FL/FR
vegetable
potato butyraldehyde
FL
waxy
allyl nonanoate
FL/FR
(E)-2-
decenal
FL/FR
woody
(Z)-
jasmone
FL/FR
alpha-
terpinyl acetate
FL/FR
alpha-
terpinyl methyl ether
FL/FR
 
Potential Uses:
FRbergamot
FRchypre
FRfern
FRfresh and clean
FRherbal
FRlavender
FRtobacco
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetate de pseudomyrcenyle, normal
 acetic acid esters with turpentine oil myrcene fraction terpene alcohols
 acetic acid, 2-methyl-6-methylene-7-octen-2-yl esters from turpentine oil myrcene fraction terpene alcohols
 acetic acid, esters with turpentine-oil myrcene fraction terpene alcs.
 acetic acid, myrcenyl esters from turpentine oil myrcene fraction terpene alcohols
2-acetoxy-2-methyl-6-methylene-7-octene from turpentine oil myrcene fraction terpene alcohols
 bergamot acetoacetate
2-methyl-6-methylene-7-octen-2-yl acetate from turpentine oil myrcene fraction terpene alcohols
(2-methyl-6-methylideneoct-7-en-2-yl) acetate from turpentine oil myrcene fraction terpene alcohols
3-methylene-7-methyl-1-octen-7-yl acetate from turpentine oil myrcene fraction terpene alcohols
 neobergamate
 neobergamate forte
7-octen-2-ol, 2-methyl-6-methylene-, acetate from turpentine oil myrcene fraction terpene alcohols
 terpene alcohols acetates
 terpenes and terpenoids, turpentine-oil, myrcene fraction, hydroxy, acetates
 terpenes and terpenoids, turpentine-oil, myrcene fraction, hydroxy,acetates
 

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