tangerine nitrile

General Material Information

Preferred name	tangerine nitrile
Trivial Name	3,12-Tridecadienenitrile
Short Description	mandaril (Symrise)
Formula	C13 H21 N
CAS Number	134769-33-8
FDA UNII	Search
Nikkaji Number	J1.565.153I
xLogP3-AA	4.70 (est)
NMR Predictor	External link
Synonyms	mandaril (Symrise) mandaril 1% in TEC (Symrise) trideca-3,12-dienenitrile 3,12-tridecadien nitrile 3,12-tridecadiene nitrile 3,12-tridecadienenitrile 3,12-Tridecadienenitrile Mandaril

(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:	2926.90.50
ChemSpider:	View

Associate Allied Chemicals	BOC Sciences
Ernesto Ventós	Moellhausen
Penta International	Symrise
Vigon International	Moellhausen S.P.A.
Penta International Corporation	Symrise AG
Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	191.31736755371
Boiling Point	111 to 117°C @ 15 mm Hg
Vapor Pressure	0.002 mmHg @ 25 °C
Flash Point TCC Value	100 °C TCC
logP (o/w)	4.673 est
Shelf life	24 months (or longer if stored properly.)
Storage notes	Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol	Yes
water, 1.702 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Citrus
sweet, tangerine, aldehydic, fresh, watery
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	204 hour(s) at 100.00 %
Luebke, William tgsc, (1994)	At 10.00 % in dipropylene glycol. sweet tangerine aldehydic fresh watery
Stable in: body lotion (very good), shampoo (excellent), soap (very good), ap roll-on (very good), powder (very good), cleaner citric (good), cleaner apc (very good), bleach (poor).	Sweet tangerine note, aldehydic, fresh watery, also reminiscent of orange peel with cyclamen and sea breeze shades

Applications	fragrance agents
Odor purposes	Aldehydic, Citrus, Ocean sea, Sea breeze, Tangerine
Other purposes	Watery

European information :
Most important hazard(s):
N - Dangerous for the environment.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 60 - This material and its container must be disposed of as hazardous waste. 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:
oral-rat LD50 > 2000 mg/kg Method:OECD 401
Dermal Toxicity:
skin-woman LD50 > 2000 mg/kg Method:OECD 402
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 tangerine nitrile usage levels up to:
	3.0000 % in the fragrance concentrate.

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):134769-33-8

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6450538

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 3082

trideca-3,12-dienenitrile

Chemidplus:0134769338