bigarade oxide

General Material Information

Preferred name	bigarade oxide
Trivial Name	3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-Hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran
Short Description	3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran
Formula	C13 H24 O
CAS Number	72429-08-4
ECHA Number	276-659-5
FDA UNII	Search
xLogP3-AA	3.80 (est)
NMR Predictor	External link
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- 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 (4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene 1H-2-Benzopyran, 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-hexahydro-3,3,6,7-tetramethyl- 3,4,4a,5,8,8a(or 3,4,4a,7,8,8a)-Hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran

(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
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2932.99.0000
ChemSpider:	View

Indukern F&F	Lluch Essence
Moellhausen	Penta International
The John D. Walsh Company	Indukern, S.A. F&F Ingredients Division
Penta International Corporation	Taytonn ASCC

Material listed in food chemical codex	No
Molecular weight	196.33348083496
Specific gravity	@ 20 °C
Pounds per Gallon	7.823 to 7.848
Refractive Index	1.483 to 1.486 @ 20 °C
Acid Value	0.5 max KOH/g
Vapor Pressure	4.8 mmHg @ 20 °C
Flash Point TCC Value	100 °C TCC
logP (o/w)	4.64 est
Solubility
alcohol	Yes
water, 7.983 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Floral
petitgrain, neroli, grapefruit, woody, herbal, cranberry
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	23 hour(s) at 100.00 %
Luebke, William tgsc, (1995)	At 10.00 % in dipropylene glycol. petitgrain neroli grapefruit woody herbal cranberry

Applications	fragrance agents
Odor purposes	Citrus , Floral , Grapefruit , Herbal , Neroli , Oriental , Petitgrain , Woody
Cosmetic purposes	Perfuming agents

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

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 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.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):72429-08-4

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :3085817

National Institute of Allergy and Infectious Diseases:Data

(4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene

Chemidplus:0072429084