agrumen nitrile

General Material Information

Preferred name	agrumen nitrile
Trivial Name	2-Benzyl-2-methyl-3-butenenitrile
Short Description	citrowanil B (Symrise)
Formula	C12 H13 N
CAS Number	97384-48-0
FDA UNII	Search
Nikkaji Number	J709.057I
xLogP3-AA	3.10 (est)
NMR Predictor	External link
Synonyms	2-bencil-2-metilbut-3-ennitrilo benzenepropanenitrile, a-ethenyl-a-methyl- 2-benzil-2-metilbut-3-ennitrile 2-benzil-2-metilbut-3-enonitrilo 2-benzyl-2-methyl-3-butene nitrile 2-benzyl-2-methyl-3-butenenitrile 2-benzyl-2-methylbut-3-enenitrile 2-benzyl-2-methylbut-3-ennitril citrowanil citrowanil B (Symrise) alpha- ethenyl-alpha-methyl benzene propane nitrile alpha- methyl-alpha-vinyl benzene propane nitrile Benzenepropanenitrile, α-ethenyl-α-methyl- α-Ethenyl-α-methylbenzenepropanenitrile 2-Methyl-2-(phenylmethyl)-3-butenenitrile 2-Benzyl-2-methyl-3-butenenitrile Citrowanil B

(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
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	171.24261474609
Specific gravity	@ 25 °C
Pounds per Gallon	7.996 to 8.08
Refractive Index	1.51 to 1.52 @ 20 °C
Boiling Point	285 to 286°C @ 760 mm Hg
Vapor Pressure	0.003 mmHg @ 25 °C
Flash Point TCC Value	93.33 °C TCC
logP (o/w)	2.386 est
Solubility
alcohol	Yes
water, 52.18 mg/L @ 25 °C (est)	Yes
Stability
AP roll-on 15% (very good)	Unspecified
bleach (good)	Unspecified
body lotion (very good)	Unspecified
cleaner APC liquid (very good)	Unspecified
cleaner liquid citric acid (very good)	Unspecified
detergent powder conc. (very good)	Unspecified
shampoo/shower gel (excellent)	Unspecified
soap (good)	Unspecified

Odor Type: Aldehydic
aldehydic, spicy, herbal, green, peppery, sweet
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	376 hour(s) at 100.00 %
Luebke, William tgsc, (1993)	At 10.00 % in dipropylene glycol. aldehydic spicy herbal green peppery sweet
Stable in: body lotion (very good), shampoo (excellent), soap (good), ap roll-on (very good), powder (very good), cleaner citric (very good), cleaner apc (very good), bleach (good).	Fresh agrumic fragrance with spicy-herbal and sweet undertones
General comment	Agrumic scent with background notes of green-herbal

Applications	fragrance agents
Odor purposes	Aldehydic, Citrus, Green, Herbal, Woody
Cosmetic purposes	Perfuming agents

European information :
Most important hazard(s):
N - Dangerous for the environment.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.

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 agrumen nitrile usage levels up to:
	5.0000 % in the fragrance concentrate.

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):97384-48-0

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :5463804

National Institute of Allergy and Infectious Diseases:Data

2-benzyl-2-methylbut-3-enenitrile

Chemidplus:0097384480