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

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
Moellhausen
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
animal
1-oxa
spiro-4,7-dodecane
FR
balsamic
cedar forest fragrance
FR
conifer acetate
FR
citrus
neroli ketone
FR
philodendron solimoesense specialty
FR
floral
decyl anthranilate
FR
floral pyranol
FR
gardenia oxide
FR
heliotropyl diethyl acetal
FR
ho leaf oil
FR
hyacinth ether
FR
karo karounde absolute
FR
leerall
FR
muguet carboxaldehyde
FR
orris pyridine 25% IPM
FR
petitgrain oil terpenes
FR
sambucus nigra flower oil CO2 extract
FR
5-
tricyclodecenyl acetate
FR
violet methyl carbonate
FR
green
dicyclopentadiene propionate
FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
narcissus flower absolute
FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
artemisia vestita wall. leaf oil
FR
calamintha clinopodium oil
FR
cardamom liquid resin
FR
herbal undecanone
FR
spicy
bayberry fragrance
FR
thujonic
cedarleaf oil western red
FR
tonka
coumarin
FR
tonka bean absolute
FR
woody
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
santall
FR
santol pentenol
FR
tetrahydromugol
FR
(Z)-
woody amylene
FR
For Flavor
 
Potential Uses:
FRcitrus
FRfloral
FRgrapefruit
FRherbal
FRneroli
FRoriental
FL/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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