fir carboxylate

General Material Information

Preferred name	fir carboxylate
Trivial Name	Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate
Short Description	cistulate (Givaudan)
Formula	C11 H18 O2
CAS Number	52557-97-8
ECHA Number	258-005-0
FDA UNII	Search
xLogP3-AA	2.80 (est)
NMR Predictor	External link
Synonyms	cistulate (Givaudan) 2,2-dimethyl bicyclo(2.2.1)heptane-3-carboxylic acid methyl ester 2,2-dimethylbicyclo(2.2.1)heptane-3-carboxylic acid, methyl ester methyl 3,3-dimethyl bicyclo(2.2.1)heptane-2-carboxylate methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate methyl camphenoate methyl dimethyl bicycloheptane carboxylate methyl-2,2-dimethyl bicyclo(2.2.1)heptane-3-carboxylate methylcamphenoate Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester 2-Norbornanecarboxylic acid, 3,3-dimethyl-, methyl ester Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate 3,3-Dimethyl-norbornane-2-carboxylic acid methyl ester

(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
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Material listed in food chemical codex	No
Molecular weight	182.26286315918
Specific gravity	@ 25 °C
Pounds per Gallon	8.338 to 8.379
Refractive Index	1.466 to 1.47 @ 20 °C
Vapor Pressure	0.148 mmHg @ 25 °C
Flash Point TCC Value	93.89 °C TCC
logP (o/w)	3.235 est
Solubility
alcohol	Yes
water, 66.57 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Balsamic
natural, pine, fir needle, green, fruity, woody
Odor strength	medium
Substantivity	28 hour(s) at 100.00 %
Luebke, William tgsc, (1991)	At 100.00 %. natural pine fir green fruity woody
Cistulate is a Mediterranean pine ingredient with a cistus character. At levels of up to 2% Cistulate modifies and freshens the top notes particularly in herbal and pine fragrances adding diffusivity, warmth and interest.	Pine, Citrus, Fresh

Applications	fragrance agents
Odor purposes	Amber, Balsam, Fresh and clean, Herbal, Pine, Sage, Woody
Other purposes	Fir, Natural
Cosmetic purposes	Perfuming agents


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-mammal (species unspecified) LD50 5000 mg/kg Pesticide & Toxic Chemical News. Vol. 9(45), Pg. 4, 1981.
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 fir carboxylate usage levels up to:
	2.0000 % in the fragrance concentrate.

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

AIDS Citations:Search

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Toxicology Citations:Search

EPA Substance Registry Services (TSCA):52557-97-8

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :103659

National Institute of Allergy and Infectious Diseases:Data

methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

Chemidplus:0052557978