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(E)-geranyl nitrile
2,6-octadienenitrile, 3,7-dimethyl-, (E)-

Supplier Sponsors

Name:(2E)-3,7-dimethylocta-2,6-dienenitrile
CAS Number: 5585-39-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:226-982-2
FDA UNII:W889CV0E9F
Nikkaji Web:J34.604G
XlogP3-AA:3.30 (est)
Molecular Weight:149.23655000
Formula:C10 H15 N
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:pale yellow liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86200 to 0.87000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.173 to 7.239
Specific Gravity:0.86300 to 0.87100 @ 20.00 °C.
Pounds per Gallon - est.: 7.189 to 7.256
Refractive Index:1.47100 to 1.47600 @ 20.00 °C.
Boiling Point: 110.00 °C. @ 1.30 mm Hg
Boiling Point: 222.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.025000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 2.989 (est)
Soluble in:
 alcohol
 water, 45.57 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:56 hour(s) at 100.00 %
Odor Description:at 10.00 % in dipropylene glycol. sharp lemon metallic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(E)-3,7-Dimethyl-2,6-octadienenitrile 95%
 
Safety Information:
 
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 3100 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 787, 1976.

Dermal Toxicity:
skin-rabbit LD50 4300 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 787, 1976.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
IFRA Critical Effect:
Genotoxicity
 View the IFRA Standard
Recommendation for (E)-geranyl nitrile usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for (E)-geranyl nitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):5585-39-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :1551246
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
(2E)-3,7-dimethylocta-2,6-dienenitrile
Chemidplus:0005585397
 
References:
 (2E)-3,7-dimethylocta-2,6-dienenitrile
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5585-39-7
Pubchem (cid):1551246
Pubchem (sid):135063834
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2926.90.0000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(E)-3,7-dimethyl-2,6-octadiene nitrile
trans-3,7-dimethyl-2,6-octadiene nitrile
(E)-3,7-dimethyl-2,6-octadienenitrile
(2E)-3,7-dimethylocta-2,6-dienenitrile
trans-geranyl nitrile
2,6-octadienenitrile, 3,7-dimethyl-, (2E)-
2,6-octadienenitrile, 3,7-dimethyl-, (E)-
 

Articles:

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Notes:
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