geranium nitrile

General Material Information

Preferred name	geranium nitrile
Trivial Name	3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile
Short Description	sandatrile
Formula	C13 H19 N
CAS Number	68804-02-4
ECHA Number	272-321-6
FDA UNII	Search
xLogP3-AA	2.90 (est)
NMR Predictor	External link
Synonyms	rose nitrile sandatrile 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-ylidene) propane nitrile 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-ylidene) propane nitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-ylidene) propiononitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile 3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene) propiononitrile 3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)acrylonitrile 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3ylidene)propionitrile 3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile Propanenitrile, 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)- 3-(4,7,7-Trimethylbicyclo[4.1.0]hept-3-ylidene)propanenitrile

(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:	2926.90.0000

BOC Sciences	Penta International
The John D. Walsh Company	Penta International Corporation
The John D. Walsh Company, Inc

Material listed in food chemical codex	No
Molecular weight	189.30143737793
Specific gravity	@ 20 °C
Pounds per Gallon	7.848 to 7.931
Refractive Index	1.491 to 1.497 @ 20 °C
Boiling Point	286 to 287°C @ 760 mm Hg
Vapor Pressure	0.006 mmHg @ 25 °C
Flash Point TCC Value	93.33 °C TCC
logP (o/w)	4.15 est
Solubility
alcohol	Yes
water, 3.562 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Floral
rose, geranium, woody, sandalwood
Odor strength	medium
Substantivity	264 hour(s) at 100.00 %
General comment	At 100.00 %. rich rose geranium woody sandalwood

Applications	fragrance agents
Odor purposes	Aldehydic, Animal, Floral, Geranium, Musk, Rose, Sandalwood, Woody
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:
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 geranium nitrile usage levels up to:
	3.0000 % in the fragrance concentrate.

Recommendation for geranium nitrile flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :53425201

National Institute of Allergy and Infectious Diseases:Data

3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile

Chemidplus:0068804024