damascone carboxylate

General Material Information

Preferred name	damascone carboxylate
Trivial Name	Methyl 2,2-dimethyl-6-methylenecyclohexanecarboxylate
Short Description	romascone (Firmenich)
Formula	C11 H18 O2
CAS Number	81752-87-6
Deleted CAS Number	88218-60-4
FDA UNII	Search
Nikkaji Number	J2.209.180H
xLogP3-AA	2.80 (est)
NMR Predictor	External link
Synonyms	2,2-dimethyl-6-methylene cyclohexane carboxylic acid methyl ester methyl 2,2-dimethyl-6-methylene-1-cyclohexane carboxylate methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate romascone (Firmenich) Cyclohexanecarboxylic acid, 2,2-dimethyl-6-methylene-, methyl ester Methyl 2,2-dimethyl-6-methylenecyclohexanecarboxylate Romascone (±)-Methyl 2,2-dimethyl-6-methylene-1-cyclohexanecarboxylate Methyl 2,2-dimethyl-6-methylenecyclohexane-1-carboxylate Methyl 2,2-dimethyl-6-methylidenecyclohexanecarboxylate

(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
ChemSpider:	View

Azelis UK	Ernesto Ventós
Firmenich	Lluch Essence
Penta International	Vigon International
Penta International Corporation	Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	182.26286315918
Specific gravity	@ 20 °C
Pounds per Gallon	8.014 to 8.064
Refractive Index	1.461 to 1.465 @ 20 °C
Boiling Point	215 to 216°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.146 mmHg @ 25 °C
Flash Point TCC Value	73.89 °C TCC
logP (o/w)	4.1
Solubility
alcohol	Yes
water, 23.88 mg/L @ 25 °C (est)	Yes
Stability
APC: traces - 0.2%	Unspecified
candle: traces - 0.5%	Unspecified
detergent: traces - 0.5%	Unspecified
fine fragrances: traces - 0.5%	Unspecified
shampoo: traces - 0.5%	Unspecified
shower gel: traces - 0.5%	Unspecified
soap: traces - 0.5%	Unspecified
softener: traces - 0.2%	Unspecified

Odor Type: Aromatic
aromatic, fruity, rose, rosemary, thujonic
Odor strength	high , recommend smelling in a 10.00 % solution or less
Substantivity	< 4 hour(s) at 100.00 %
Luebke, William tgsc, (1988)	At 10.00 % in dipropylene glycol. aromatic damascone rosemary thujonic fruity
It can be used like any other damascone. Effective at very low levels. Can be used either in aromatic compositions to enhance the herbal aromatic notes or in other fragrances to give a fruity berry aspect.	Aromatic and damascone-like. It has herbaceous, rosemary and thuyonic aspects, with a damascone fruity undertone

Applications	fragrance agents
Odor purposes	Acacia , Agrumen aldehyde , Aldehydic , Crabapple , Apple red apple , Ash mountain ash berry , Berry jam , Blackberry , Boxwood , Boysenberry , Bramble arctic bramble blackberry , Cedar , Cedar forest , Chamomile , Cherry black cherry , Christmas , Chrysanthemum , Crabapple blossom , Cranberry , Currant black currant , Currant bud absolute replacer , Date , Davana oil replacer , Eglantine , Elder berry , Fig , Floral , Grape , Guava , Herbal , Hibiscus , Honey , Honeysuckle , Hugonia , Immortelle , Kiwi , Kiwi blossom , Lychee , Mango , Marigold , Marjoram , Pansy , Passion blossom , Passion fruit , Pear , Pear blossom , Plum mirabelle plum , Pomegranate , Prune , Raisin , Raspberry , Redwood , Rose , Rose tea rose , Rosemary , Rue , Tangerine , Tobacco , Woody , Wormwood oil replacer , Yerba mate
Flavoring purposes	Cloudberry bakeapple , Currant bud absolute replacer , Fruit tropical fruit , Immortelle , Marigold , Marjoram , Nectarine , Pear emperor pear , Rue , Starfruit , Tea , Tropical , Yerba mate
Other purposes	Blossom tropical blossom , Diffusion , Fruit dried fruit , Plum jam , Raspberry jam , Rose wild rose , Watercress nasturtium

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 - Wear suitable protective clothing.

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 damascone carboxylate usage levels up to:
	0.5000 % in the fragrance concentrate.

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):81752-87-6

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :11095260

National Institute of Allergy and Infectious Diseases:Data

methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate

Chemidplus:081752876