octane nitrile, 124-12-9

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CODE104813 CODE104813
Product(s):
Octane Nitrile

CJ Latta & Associates, LLC

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CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients.
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Product(s):
OCTANE NITRILE

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Product(s):
O0221 Octanenitrile >97.0%(GC)
SDS

Vigon International

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CODE104813 CODE104813
Product(s):
501967 Octanenitrile (Octanile)

CAS Number:	124-12-9	3D/inchi
ECHA EINECS - REACH Pre-Reg:	204-682-2
FDA UNII:	D6646V87PY
Nikkaji Web:	J43.449C
Beilstein Number:	1744063
MDL:	MFCD00001983
XlogP3:	2.80 (est)
Molecular Weight:	125.21455000
Formula:	C8 H15 N
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:fragrance agents

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.81200 to 0.81600 @ 25.00 °C.
Pounds per Gallon - (est).:	6.757 to 6.790
Refractive Index:	1.41800 to 1.42200 @ 20.00 °C.
Melting Point:	-45.00 °C. @ 760.00 mm Hg
Boiling Point:	198.00 to 200.00 °C. @ 760.00 mm Hg
Acid Value:	1.00 max. KOH/g
Vapor Pressure:	0.241000 mmHg @ 25.00 °C. (est)
Vapor Density:	4.3 ( Air = 1 )
Flash Point:	165.00 °F. TCC ( 73.89 °C. )
logP (o/w):	2.750
Soluble in:
	alcohol
	water, 233.7 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: aldehydic

fatty aldehydic green

Odor Description:at 10.00 % in dipropylene glycol. fatty aldehydic green

Odor and/or flavor descriptions from others (if found).

Vigon International

Octanenitrile (Octanile)

Odor Description:SWEET, FATTY, GREEN

Synarome

OCTANENITRILE

Odor Description:powerful floral note, with aldehydic, citrus and orris aspect

Cosmetic Information:

None found

Suppliers:

Associate Allied Chemicals

Octane Nitrile

About

CJ Latta & Associates

OCTANE NITRILE

Santa Cruz Biotechnology

For experimental / research use only.

Heptyl Cyanide

Sigma-Aldrich: Aldrich

For experimental / research use only.

Odor: powerful floral note, with aldehydic, citrus and orris aspect

TCI AMERICA

For experimental / research use only.

Octanenitrile >97.0%(GC)

sds

Vigon International

Octanenitrile (Octanile)

Odor: SWEET, FATTY, GREEN

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, 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:
oral-mouse LD50 1764 mg/kg Archives of Toxicology. Vol. 55, Pg. 47, 1984.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

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 octane nitrile usage levels up to:
	2.0000 % in the fragrance concentrate.

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

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):124-12-9

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :31286

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

octanenitrile

Chemidplus:0000124129

RTECS:RG9700300 for cas# 124-12-9

References:

	octanenitrile
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	124-12-9
Pubchem (cid):	31286
Pubchem (sid):	134974905
Pherobase:	View

Other Information:

(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
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2926.90.5050
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View