bergamot acetoacetate
neobergamate
 
Notes:
None found
  • Augustus Oils
    • Augustus Oils Ltd
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  • Lluch Essence
    • Lluch Essence S.L.
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  • Vigon International
    • Vigon International
      Passion for Simplicity
      Manufacturer and supplier of high quality flavor and fragrance ingredients.
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      503243 Neobergamate Forte
       
Synonyms   Articles   Notes   Search
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
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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 mmHg @ 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
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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 and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data2
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
Augustus Oils
Neobergamate
Services
Lluch Essence
NEOBERGAMATE FORTE
Vigon International
Neobergamate Forte
Odor: Fresh herbal bergamot stem floral buchu
Synonyms   Articles   Notes   Search   Top
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
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Safety in Use Information:
Category: fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
Synonyms   Articles   Notes   Search   Top
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
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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
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Potential Blenders and core components note
 
For Odor
balsamic
 propyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
citrus
beta-bisabololFL/FR
 dihydromyrcenyl acetateFR
2-heptanolFL/FR
alpha-methylene citronellalFR
 myrcenyl acetateFL/FR
alpha-terpinyl methyl etherFL/FR
earthy
 octyl phenyl acetateFL/FR
fatty
(E)-2-decenalFL/FR
floral
 amyl salicylateFL/FR
isoamyl salicylateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 bois de rose oil brazilFL/FR
 butyl tiglateFR
(S)-citronellyl acetateFL/FR
 citronellyl formateFL/FR
 coranol (Firmenich)FR
 coriander seed oilFL/FR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
2,4-dimethyl-3-cyclohexene-1-methanolFR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 herbal pyranFR
 ho leaf oilFR
 ho wood oilFR
beta-ionolFL/FR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl benzoateFL/FR
 linalyl butyrateFL/FR
 linalyl propionateFL/FR
 neryl isovalerateFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
(Z)-beta-ocimeneFL/FR
bitter orangeflower absolute moroccoFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
isopropyl phenyl acetateFL/FR
 reseda absoluteFR
 reseda absolute replacerFR
laevo-rose oxideFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydrolinalyl acetateFR
fruity
 linalyl isobutyrateFL/FR
 nerolidyl isobutyrateFR
 ocimen-1-yl acetateFR
green
isobutyl benzyl carbinolFL/FR
2-isobutyl thiazoleFL/FR
 coriander heptenolFL/FR
 cumin acetaldehydeFL/FR
 heptyl formateFL/FR
3-hexenalFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
 ivy dioxolaneFR
 leafy oximeFR
dextro-linalyl acetateFL/FR
laevo-linalyl acetateFL/FR
 narcissus flower absoluteFR
 phenethyl acetalFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenoxyacetaldehyde 50% in peomosaFR
3-phenyl propionaldehydeFL/FR
isopropyl quinolineFR
herbal
 bergamot mint herb oilFR
 buchu oximeFR
 cananga fruit oilFR
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) spainFR
 chamomile isobutyrateFR
 chrysanthemum ketoneFR
 clary octenoneFR
 coriander seed absoluteFL/FR
 cuminyl acetateFL/FR
abrialis lavandin oilFL/FR
 lavender absolute bulgariaFL/FR
 lavender stem oil lithuaniaFR
 linalyl acetateFL/FR
 linalyl formateFL/FR
 linalyl isovalerateFL/FR
 methyl cyclogeranate (Firmenich)FR
 methyl ortho-anisateFL/FR
 myrtle oilFL/FR
 nopyl acetateFR
3-octyl acetateFL/FR
 terpineol acetateFL/FR
alpha-terpinyl acetateFL/FR
minty
 diosphenolFL/FR
(R)-(+)-pulegoneFR
spicy
 carnation absoluteFR
 cubeb oilFL/FR
sulfurous
 buchu mercaptanFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
waxy
 allyl nonanoateFL/FR
woody
2-decalinyl acetateFR
alpha-farneseneFL/FR
 
For Flavor
 
No flavor group found for these
 coriander heptenolFL/FR
 cuminyl acetateFL/FR
 ethyl linalyl etherFL/FR
 ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
dextro-linaloolFL/FR
laevo-linalyl acetateFL/FR
dextro-linalyl acetateFL/FR
 linalyl formateFL/FR
 methyl ortho-anisateFL/FR
 octyl phenyl acetateFL/FR
 terpineol acetateFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
amber
isobutyl benzyl carbinolFL/FR
aromatic
 amyl salicylateFL/FR
citrus
beta-bisabololFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
fatty
 heptyl formateFL/FR
floral
 bois de rose oil brazilFL/FR
(S)-citronellyl acetateFL/FR
 dihydrolinaloolFL/FR
beta-ionolFL/FR
 linalyl acetateFL/FR
 linalyl anthranilateFL/FR
 linalyl butyrateFL/FR
 linalyl isobutyrateFL/FR
bitter orangeflower absolute moroccoFL/FR
laevo-rose oxideFL/FR
 tetrahydrolinaloolFL/FR
fruity
 citronellyl formateFL/FR
2-heptanolFL/FR
 linalyl benzoateFL/FR
 linalyl isovalerateFL/FR
 neryl isovalerateFL/FR
 propyl cinnamateFL/FR
green
isoamyl salicylateFL/FR
2-isobutyl thiazoleFL/FR
 cumin acetaldehydeFL/FR
alpha-farneseneFL/FR
3-hexenalFL/FR
2,4-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 linalool oxideFL/FR
(Z)-beta-ocimeneFL/FR
3-octyl acetateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
herbal
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
3,6-dimethyl-3-octanolFL/FR
abrialis lavandin oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender absolute bulgariaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 linalyl propionateFL/FR
 prenyl salicylateFL/FR
honey
isopropyl phenyl acetateFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
minty
 diosphenolFL/FR
oily
isophytolFL/FR
spicy
 cubeb oilFL/FR
 myrtle oilFL/FR
sulfurous
 buchu mercaptanFL/FR
 mango thiolFL/FR
tropical
 passiflora acetateFL/FR
vegetable
 potato butyraldehydeFL
waxy
 allyl nonanoateFL/FR
(E)-2-decenalFL/FR
woody
(Z)-jasmoneFL/FR
alpha-terpinyl acetateFL/FR
alpha-terpinyl methyl etherFL/FR
 
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Potential Uses:
 bergamotFR
 chypreFR
 fernFR
 fresh and cleanFR
 herbalFR
 lavenderFR
 tobaccoFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
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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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