rose carboxylate

General Material Information

Preferred name	rose carboxylate
Trivial Name	ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
Short Description	givescone (Givaudan)
Formula	C13 H22 O2
CAS Number	57934-97-1
CAS Number	77851-07-1
ECHA Number	261-020-5
FDA UNII	U0QIF3ZHAA
Nikkaji Number	J296.827D
xLogP3-AA	3.40 (est)
NMR Predictor	External link
Synonyms	2-cyclohexene-1-carboxylic acid, 2-ethyl-6,6-dimethyl-, ethyl ester ethyl 2,3,6,6-tetramethyl-2-cyclohexene carboxylate ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate ethyl 2-ethyl-6,6-dimethyl-2-cyclohexene carboxylate ethyl 2-ethyl-6,6-dimethyl-2-cyclohexene-carboxylate ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate ethyl 2-ethyl-6,6-dimethylcyclohex-2-enecarboxylate ethyl 2-ethyl-6-dimethyl-2-cyclohexene carboxylate ethyl ethyl dimethyl cyclohexene-1-carboxylate 2-ethyl-6,6-dimethyl-2-cyclohexene-1-carboxylic acid ethyl ester givescone (Givaudan)

	ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	57934-97-1
Pubchem (cid):	93847
Pubchem (sid):	135050950
	ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	77851-07-1
Pubchem (cid):	166500
Pubchem (sid):	743888

Publications by US Patents
4,609,491 - Tri- and tetra-substituted cyclohexen-1-methyl acetates as odorants
4,570,648 - Flavorants containing esters of 2,3,6,6-tetramethylcyclohexenyl carboxylic acids
4,570,648 - Flavorants containing esters of 2,3,6,6-tetramethylcyclohexenyl carboxylic acids

(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

Augustus Oils	BOC Sciences
Diffusions Aromatiques	Ernesto Ventós
Givaudan	Indukern F&F
Lluch Essence	Moellhausen
O'Laughlin Industries	Pell Wall Perfumes
Penta International	PerfumersWorld
The Perfumers Apprentice	Vigon International
Augustus Oils Ltd	Indukern, S.A. F&F Ingredients Division
Lluch Essence S.L.	Moellhausen S.P.A.
O'Laughlin Industries Inc.	Penta International Corporation
PerfumersWorld Ltd.	Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	210.31674194336
Specific gravity	@ 25 °C
Pounds per Gallon	7.822 to 7.863
Refractive Index	1.46 to 1.464 @ 20 °C
Boiling Point	102 to 103°C @ 11 mm Hg
Vapor Pressure	0.017 mmHg @ 25 °C
Flash Point TCC Value	91.11 °C TCC
logP (o/w)	4.391 est
Solubility
alcohol	Yes
water, 34 mg/L @ 20 °C (exp)	Yes
Stability
alcoholic - good	Unspecified
antiperspirant spray - moderate	Unspecified
APC (pH = 10) - moderate	Unspecified
candles - good	Unspecified
damp fabric - good	Unspecified
dry fabric - poor	Unspecified
liquid bleach - poor	Unspecified
pH = 2 - poor	Unspecified
powder detergent - good	Unspecified
powder detergent + activator - moderate	Unspecified
soap - good	Unspecified
toiletries - good	Unspecified

Odor Type: Floral
rose, warm, spicy, fruity, berry, woody
Odor strength	medium
Substantivity	20 hour(s) at 100.00 %
Luebke, William tgsc, (1995)	At 100.00 %. rose oxide warm spicy fruity berry damascone
Givescone is used where real innovation is required. It has a complex odour picture, with floral, spicy, fruity, woody and even herbaceous nuances. It blends particularly well with rose, carnation, aldehydes, chypre and fougère, and with aromatic and spicy notes.	Rosy, Spicy, Fruity, Woody
Arcadi Boix Camps says that Givescone is “a well known chemical that is difficult to describe. It has many nuances of the damascenes and damascenone, but is less sharp-metalic and has more of a sweet-apple note. It combines very well with undecavertol … and it forms part of important international bases, important functional fragrances (Ariel Future) and alcoholic fragrances (Jean Marc Sinan for ladies).”	Floral-rose, rose oxide, warm, spicy, fruity-berry, damascone-like
General comment	Rosy, Spicy, Fruity, Woody

Applications	fragrance agents
Odor purposes	Apple, Carnation, Fern, Floral, Herbal, Honey, Rose, Rose tea rose, Spice
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)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 5000 mg/kg
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 rose carboxylate usage levels up to:
	10.0000 % in the fragrance concentrate.

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