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

bigarade oxide
3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran

Sponsors

Name:(4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene
CAS Number: 72429-08-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:276-659-5
XlogP3-AA:3.80 (est)
Molecular Weight:196.33348000
Formula:C13 H24 O
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 clear liquid (est)
Assay: 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.93900 to 0.94200 @ 20.00 °C.
Pounds per Gallon - (est).: 7.823 to 7.848
Refractive Index:1.48300 to 1.48600 @ 20.00 °C.
Boiling Point: 200.00 °C. @ 760.00 mm Hg
Boiling Point: 75.00 °C. @ 2.00 mm Hg
Acid Value: 0.50 max. KOH/g
Vapor Pressure:4.800000 mm/Hg @ 20.00 °C.
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 4.640 (est)
Soluble in:
 alcohol
 water, 7.983 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:23 hour(s) at 100.00 %
petitgrain neroli grapefruit woody herbal cranberry
Odor Description:at 10.00 % in dipropylene glycol. petitgrain neroli grapefruit woody herbal cranberry
Luebke, William tgsc, (1995)
Odor sample from: Bush Boake Allen Inc
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Indukern F&F
BIGARADE OXIDE
Odor: WOODY, HERBAL, GRAPEFRUIT
Lluch Essence
BIGARADE OXIDE
Penta International
BIGARADE OXIDE
Taytonn
Bigarade Oxide
Odor: Citrus, Herbal/ Herbaceous, Woody
The John D. Walsh Company
Bigarade Oxide
 
Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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 bigarade oxide usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Recommendation for bigarade oxide flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):72429-08-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3085817
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene
Chemidplus:0072429084
 
References:
 (4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:72429-08-4
Pubchem (cid):3085817
Pubchem (sid):135233689
 
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:2932.99.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
decanal (aldehyde C-10)
FL/FR
dodecanal (aldehyde C-12 lauric)
FL/FR
nonanal (aldehyde C-9)
FL/FR
amber
angelica archangelica root oil CO2 extract
FL/FR
animal
1-oxa
spiro-4,7-dodecane
FR
balsamic
amyris wood oil
FL/FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
dextro,laevo-iso
borneol
FL/FR
iso
bornyl propionate
FL/FR
iso
butyl benzoate
FL/FR
cedar forest fragrance
FR
cinnamyl alcohol
FL/FR
conifer acetate
FR
ethyl cinnamate
FL/FR
myrrh oil
FL/FR
berry
raspberry ketone
FL/FR
camphoreous
dextro-
camphor
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
lemon oil c.p. california
FL/FR
mandarin oil (citrus reticulata var. ponkan)
FL/FR
methyl heptenone
FL/FR
neroli ketone
FR
blood
orange oil italy
FL/FR
bitter
orange peel oil brazil
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
philodendron solimoesense specialty
FR
valencene
FL/FR
earthy
2-
octanone
FL/FR
fatty
decanol
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
bois de rose oil brazil
FL/FR
citronellol
FL/FR
citronellyl acetate
FL/FR
citronellyl anthranilate
FL/FR
coriander seed oil
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
decyl anthranilate
FR
dimethyl anthranilate
FL/FR
dimethyl benzyl carbinol
FL/FR
ethyl phenyl acetate
FL/FR
floral pyranol
FR
gardenia oxide
FR
geraniol
FL/FR
geranium oil bourbon
FL/FR
geranyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
heliotropyl diethyl acetal
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
ho leaf oil
FR
hyacinth ether
FR
hydroxycitronellal
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
(Z)-
jasmone
FL/FR
karo karounde absolute
FR
leerall
FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
methyl dihydrojasmonate
FL/FR
mimosa absolute france
FL/FR
muguet carboxaldehyde
FR
beta-
naphthyl anthranilate
FL/FR
nerol
FL/FR
neroli oil bigarde
FL/FR
neryl acetate
FL/FR
nonanol
FL/FR
ocean propanal
FL/FR
bitter
orangeflower absolute morocco
FL/FR
orris pyridine 25% IPM
FR
palmarosa oil
FL/FR
petitgrain bigarade oil
FL/FR
petitgrain oil paraguay
FL/FR
petitgrain oil terpenes
FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
rhodinol
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose butanoate
FL/FR
sambucus nigra flower oil CO2 extract
FR
tetrahydrolinalool
FL/FR
5-
tricyclodecenyl acetate
FR
violet methyl carbonate
FR
ylang ylang flower oil
FL/FR
fruity
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
cyclohexyl anthranilate
FL/FR
gamma-
decalactone
FL/FR
methyl anthranilate
FL/FR
neryl propionate
FL/FR
para-
tolualdehyde
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
iso
cyclocitral (IFF)
FL/FR
dicyclopentadiene propionate
FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
hexyl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
para-
methyl hydratropaldehyde
FL/FR
narcissus flower absolute
FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
violet leaf absolute
FL/FR
hay
beeswax absolute
FL/FR
tobacco leaf absolute
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
angelica archangelica seed extract
FL/FR
artemisia vestita wall. leaf oil
FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
calamintha clinopodium oil
FR
cardamom liquid resin
FR
clary sage oil france
FL/FR
daucus carota fruit oil
FL/FR
dill seed oil
FL/FR
dill seed oil CO2 extract
FL/FR
herbal undecanone
FR
immortelle flower oil
FL/FR
lavandin water absolute
FL/FR
linalyl acetate
FL/FR
2-
methyl butyl salicylate
FL/FR
alpha-
pinene
FL/FR
pinocarveol
FL/FR
thyme oil wild or creeping
FL/FR
minty
pennyroyal oil
FL/FR
mossy
oakmoss absolute
FL/FR
musk
angelica root absolute
FL/FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
beta-
naphthyl methyl ether
FL/FR
orris
para-iso
propyl acetophenone
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
bayberry fragrance
FR
cinnamon acrolein
FL/FR
clove bud oil
FL/FR
eugenol
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
ginger root oil cochin
FL/FR
myrcene
FR
2-
octanol
FL/FR
black
pepper absolute
FL/FR
white
pepper oil
FL/FR
black
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
terpenic
alpha-
terpineol
FL/FR
thujonic
cedarleaf oil western red
FR
common
tansy flower oil argentina
FL/FR
woody ketone
FL/FR
tonka
coumarin
FR
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillyl acetate
FL/FR
waxy
1-
dodecanol
FL/FR
ethyl laurate
FL/FR
woody
angelica archangelica root extract
FL/FR
angelica archangelica root tincture
FL/FR
angelica archangelica root water
FL/FR
cadinene
FL/FR
(+)-
camphene
FL/FR
camphene
FL/FR
cypress essence
FR
dalbergia sissoo leaf oil
FR
dihydro-alpha-terpinyl acetate
FR
fougere woody fragrance
FR
laitone
FR
manevoro oil
FR
marine formate
FR
melaleuca bracteata leaf oil
FR
patchouli oil
FL/FR
polylimonene
FL/FR
santall
FR
santol pentenol
FR
tetrahydromugol
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
angelica archangelica root extract
FL/FR
angelica archangelica root oil CO2 extract
FL/FR
angelica archangelica root tincture
FL/FR
angelica archangelica root water
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
(+)-
camphene
FL/FR
2-
methyl butyl salicylate
FL/FR
polylimonene
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
woody ketone
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
balsamic
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
iso
bornyl propionate
FL/FR
ethyl cinnamate
FL/FR
myrrh oil
FL/FR
berry
raspberry ketone
FL/FR
brown
beeswax absolute
FL/FR
camphoreous
dextro,laevo-iso
borneol
FL/FR
camphene
FL/FR
pinocarveol
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
lemon oil c.p. california
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
mandarin oil (citrus reticulata var. ponkan)
FL/FR
nerol
FL/FR
blood
orange oil italy
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
petitgrain bigarade oil
FL/FR
petitgrain oil paraguay
FL/FR
alpha-
terpineol
FL/FR
valencene
FL/FR
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
dairy
2-
octanone
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellol
FL/FR
citronellyl acetate
FL/FR
geraniol
FL/FR
geranium oil bourbon
FL/FR
(E)-
geranyl acetone
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
linalyl acetate
FL/FR
linalyl anthranilate
FL/FR
methyl dihydrojasmonate
FL/FR
neroli oil bigarde
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
bitter
orangeflower absolute morocco
FL/FR
palmarosa oil
FL/FR
phenethyl alcohol
FL/FR
phenethyl propionate
FL/FR
rhodinol
FL/FR
tetrahydrolinalool
FL/FR
ylang ylang flower oil
FL/FR
fruity
para-
anisyl alcohol
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
iso
butyl benzoate
FL/FR
citronellyl anthranilate
FL/FR
cyclohexyl anthranilate
FL/FR
gamma-
decalactone
FL/FR
dimethyl anthranilate
FL/FR
methyl anthranilate
FL/FR
beta-
naphthyl anthranilate
FL/FR
bitter
orange peel oil brazil
FL/FR
rose butanoate
FL/FR
grassy
tobacco leaf absolute
FL/FR
green
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
cyclohexyl ethyl alcohol
FL/FR
geranyl acetate
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
methyl heptenone
FL/FR
para-
methyl hydratropaldehyde
FL/FR
neryl propionate
FL/FR
oakmoss absolute
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
violet leaf absolute
FL/FR
herbal
angelica archangelica seed extract
FL/FR
clary sage oil france
FL/FR
coriander seed oil
FL/FR
daucus carota fruit oil
FL/FR
dill seed oil
FL/FR
dill seed oil CO2 extract
FL/FR
immortelle flower oil
FL/FR
lavandin water absolute
FL/FR
thyme oil wild or creeping
FL/FR
honey
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl phenyl acetate
FL/FR
medicinal
dextro-
camphor
FL/FR
dimethyl benzyl carbinol
FL/FR
minty
pennyroyal oil
FL/FR
musk
angelica root absolute
FL/FR
naphthyl
beta-
naphthyl methyl ether
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
1-
dodecanol
FL/FR
spicy
cinnamon acrolein
FL/FR
clove bud oil
FL/FR
eugenol
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
ginger root oil cochin
FL/FR
2-
octanol
FL/FR
black
pepper absolute
FL/FR
white
pepper oil
FL/FR
black
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
para-iso
propyl acetophenone
FL/FR
para-
tolualdehyde
FL/FR
thujonic
common
tansy flower oil argentina
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vanilla
ethyl vanillin
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillyl acetate
FL/FR
waxy
decanal (aldehyde C-10)
FL/FR
decanol
FL/FR
ethyl laurate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
mimosa absolute france
FL/FR
nonanol
FL/FR
woody
amyris wood oil
FL/FR
cadinene
FL/FR
(Z)-
jasmone
FL/FR
patchouli oil
FL/FR
alpha-
pinene
FL/FR
 
Potential Uses:
FRcitrus
FRfloral
FRgrapefruit
FRherbal
FRneroli
FRoriental
FRpetitgrain
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1H-2-benzopyran-3,4,4alpha,5,8,8alpha-hexahydro-3,3,6,7-tetramethyl
1H-2-benzopyran, 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-
 bigarade oxide
3,4,4a,5,8,8a (or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran
3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran
3,4,4alpha,5,8,8alpha-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran
 hexahydrotetramethyl benzopyran
(4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene
 

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