marine carbonitrile

General Material Information

Preferred name	marine carbonitrile
Trivial Name	3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
Short Description	azuril (IFF)
Formula	C13 H19 N
CAS Number	68084-04-8
CAS Number	21690-43-7
ECHA Number	268-417-2
FDA UNII	Search
Nikkaji Number	J289.024K
xLogP3-AA	3.20 (est)
NMR Predictor	External link
Synonyms	azuril (IFF) 3-cyclohexene-1-carbonitrile, 3-(4-methyl-3-penten-1-yl)- 3-cyclohexene-1-carbonitrile, 3-(4-methyl-3-pentenyl)- 3-cyclohexene-1-carbonitrile,3-(4-methyl-3-pentenyl)- iso hexen-1-yl tetrahydrobenzyl nitrile 3-(4-methyl-3-pentenyl) cyclohex-3-ene-1-carbonitrile 3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile 3-(4'- methyl-3'-pentenyl)-3-cyclohexene-1-carbonitrile 3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbonitrile 3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile ozuril (Tadimety)

(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

Creatingperfume.com	Emerald Kalama Chemical
Perfumery Laboratory	Tadimety Aromatics
Taytonn ASCC	The John D. Walsh Company
Tadimety Aromatics Private Limited	Taytonn ASCC Pte Ltd
The John D. Walsh Company, Inc

Material listed in food chemical codex	No
Molecular weight	189.30143737793
Specific gravity	@ 20 °C
Pounds per Gallon	7.648 to 7.731
Refractive Index	1.486 to 1.496 @ 20 °C
Boiling Point	301 to 302°C @ 760 mm Hg
Vapor Pressure	0.001 mmHg @ 25 °C
Flash Point TCC Value	72.22 °C TCC
logP (o/w)	3.657 est
Solubility
alcohol	Yes
water, 2.349 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Marine
ozone, citrus, cloth laundered cloth
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	72 hour(s) at 100.00 %
General comment	At 10.00 % in dipropylene glycol. ozone citrus clean linen

Applications	fragrance agents
Odor purposes	Citrus, Clean linen, Floral, Lily of the valley, Sea breeze
Other purposes	Ozone


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 marine carbonitrile usage levels up to:
	5.0000 % in the fragrance concentrate.

Recommendation for marine carbonitrile flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):68084-04-8

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :107099

National Institute of Allergy and Infectious Diseases:Data

3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile

Chemidplus:0068084048

4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile

Chemidplus:0021690437