woody carboxylate

General Material Information

Preferred name	woody carboxylate
Trivial Name	Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl ester
Short Description	mahagonat (Symrise)
Formula	C14 H22 O2
CAS Number	68966-86-9
Deleted CAS Number	68928-82-5
ECHA Number	273-453-7
FDA UNII	Search
Nikkaji Number	J310.242D
xLogP3-AA	3.90 (est)
NMR Predictor	External link
Synonyms	arboroma bicyclo(2.2.2)oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl ester 5(6)- carbomethoxy-1-methyl-4-isopropyl bicyclo(2.2.2)oct-2-ene 5(6)- carbomethoxy-1-methyl-4-isopropyl-bicyclo[2.2.2.]oct-2-ene mahagonat (Symrise) mahagonate (Symrise) methyl 1-methyl-4-isopropyl bicyclo(2.2.2)oct-5-ene carboxylate methyl 1-methyl-4-propan-2-yl bicyclo(2.2.2)oct-2-ene-7-carboxylate methyl 4(or 1)-isopropyl-1(or 4)-methyl bicyclo(2.2.2)oct-5-ene-2-carboxylate methyl 4(or 1)-isopropyl-1(or 4)-methylbicyclo(2.2.2)oct-5-ene-2-carboxylate methyl isopropyl methyl bicyclooctene-2-carboxylate 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate poivrol (Symrise) 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1(or 4)-methyl-4(or 1)-(1-methylethyl)-, methyl ester Poivrol

(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:	3302.90.9090
ChemSpider:	View

Associate Allied Chemicals	Augustus Oils
BOC Sciences	Creatingperfume.com
Indukern F&F	Lluch Essence
Moellhausen	Pell Wall Perfumes
Penta International	Perfumery Laboratory
Symrise	Vigon International
Augustus Oils Ltd	Indukern, S.A. F&F Ingredients Division
Penta International Corporation

Material listed in food chemical codex	No
Molecular weight	222.32774353027
Specific gravity	@ 25 °C
Pounds per Gallon	8.279 to 8.321
Refractive Index	1.477 to 1.486 @ 20 °C
Boiling Point	261 to 262°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.011 mmHg @ 25 °C
Flash Point TCC Value	93.33 °C TCC
logP (o/w)	4.885 est
Shelf life	36 months (or longer if stored properly.)
Storage notes	Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol	Yes
water, 3.762 mg/L @ 25 °C (est)	Yes
Stability
AP roll-on 15% (very good)	Unspecified
bleach (poor)	Unspecified
body lotion (poor)	Unspecified
cleaner APC liquid (good)	Unspecified
cleaner liquid citric acid (good)	Unspecified
detergent powder conc. (good)	Unspecified
shampoo/shower gel (good)	Unspecified
soap (good)	Unspecified

Odor Type: Woody
woody, dry, clean, mahogany, sawdust
Odor strength	medium
Substantivity	73 hour(s) at 100.00 %
Luebke, William tgsc, (1987)	At 100.00 %. woody dry clean mahogany dank sawdust
Stable in: body lotion (poor), shampoo (good), soap (good), ap roll-on (very good), detergent powder conc. (good), cleaner citric (good), cleaner apc (good), bleach (poor)	Aromatic, pepper, laurel leaf, wood
A very nice diffusive, woody-herbal material of great versatility. Besides the obvious uses in woody and woody-amber complexes, try this with labdanum in Incense fragrances, with Fougere or Chypre as a brightening, lifting agent.	Woody, dry, herbal-patchouli, laurel leaf
Note that despite the shared CAS number and many suppliers listing it as equivalent Mahagonate is most certainly not the same product: we have both here and can assert with confidence that the distinctive peppery note of Poivrol is almost entirely absent from Mahagonate.	Pepper, spice, woody, aromatic, dry, laurel leaf
General comment	Spicy aroma of sweet peppers with a touch of fresh sawdust mahogany, and bay leaf

Applications	fragrance agents
Odor purposes	Amber , Ambergris , Ambreine , Angelica , Cabreuva wood , Christmas , Cistus , Dogwood , Floral , Herbal , Hinoki oil replacer , Labdanum , Orange bitter orange peel , Oriental , Patchouli , Sandalwood , Spice , Woody
Flavoring purposes	Angelica , Cistus , Orange bitter orange peel
Other purposes	Clean
Cosmetic purposes	Perfuming agents

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 5), H303 Acute aquatic toxicity (Category 2), H401 Chronic aquatic toxicity (Category 2), H411
GHS Label elements, including precautionary statements

Pictogram

Signal word	Warning
Hazard statement(s)
H303 - May be harmfulif swallowed H401 - Toxic to aquatic life H411 - Toxic to aquatic life with long lasting effects
Precautionary statement(s)
P273 - Avoid release to the environment. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/container in accordance with local/regional/national/international regulations.
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 woody carboxylate usage levels up to:
	8.0000 % in the fragrance concentrate.

Recommendation for woody carboxylate flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):68966-86-9

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :106713

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 3082

4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-2-ene-8-carboxylate

Chemidplus:0068966869