muguet nitrile

General Material Information

Preferred name	muguet nitrile
Trivial Name	3-Methyl-5-phenylpentanenitrile
Short Description	hydrocitronitrile (Symrise)
Formula	C12 H15 N
CAS Number	54089-83-7
ECHA Number	258-969-2
FDA UNII	Search
Nikkaji Number	J279.578G
xLogP3-AA	3.20 (est)
NMR Predictor	External link
Synonyms	benzenepentanenitrile, beta-methyl- citralis nitrile 5-cyclohexyl-3-methylpentanenitrile hydrocitronitril (Symrise) hydrocitronitrile (Symrise) beta- methyl benzene pentane nitrile beta- methyl phenyl pentannitrile 3-methyl-5-phenyl pentane nitrile 3-methyl-5-phenylpentanenitrile 5-cyclohexyl-3-methylpentanenitrile Benzenepentanenitrile, β-methyl- β-Methylbenzenepentanenitrile 3-Methyl-5-phenylpentanenitrile 3-Methyl-5-phenylpentanonitrile Hydrocitronitrile

(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

Indukern F&F	Penta International
Symrise	Taytonn ASCC
The John D. Walsh Company	Indukern, S.A. F&F Ingredients Division
Penta International Corporation	Symrise AG
Taytonn ASCC Pte Ltd	The John D. Walsh Company, Inc

Material listed in food chemical codex	No
Molecular weight	173.25854492188
Boiling Point	311 to 312°C @ 760 mm Hg
Vapor Pressure	0.001 mmHg @ 25 °C
Flash Point TCC Value	153.33 °C TCC
logP (o/w)	3.091 est
Solubility
alcohol	Yes
water, 36.25 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Floral
citrus, floral, muguet, lily, sweet, metallic
General comment	At 100.00 %. citrus floral muguet lily sweet metallic
Stable in: body lotion (very good), shampoo (excellent), soap (very good), ap roll-on (very good), powder (very good), cleaner citric (excellent), cleaner apc (very good), bleach (good).	Citrus-like, reminiscent of lemon peel with waxy and metallic (nitrile-like) shades

Applications	fragrance agents
Odor purposes	Floral, Green, Hyacinth, Lilac, Lily, Lily of the valley, Oriental
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 37/39 - Wear suitable gloves and eye/face protection.

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 muguet nitrile usage levels up to:
	10.0000 % in the fragrance concentrate.

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):54089-83-7

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :103875

National Institute of Allergy and Infectious Diseases:Data

5-cyclohexyl-3-methylpentanenitrile

Chemidplus:0054089837