(E)-geranyl nitrile
2,6-octadienenitrile, 3,7-dimethyl-, (E)-
None found
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      5585-39-7 (E)-3,7-Dimethyl-2,6-octadienenitrile 95%
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CAS Number: 5585-39-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 226-982-2
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
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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:
 water, 45.57 mg/L @ 25 °C (est)
Insoluble in:
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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).
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Cosmetic Information:
None found
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BOC Sciences
For experimental / research use only.
(E)-3,7-Dimethyl-2,6-octadienenitrile 95%
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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
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
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Safety in Use Information:
Category: information only not used for fragrances or flavors
IFRA Critical Effect: Genotoxicity
IFRA: View 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.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
Chemidplus: 0005585397
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NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5585-39-7
Pubchem (cid): 1551246
Pubchem (sid): 135063834
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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
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Potential Blenders and core components note
None Found
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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(E)-3,7-dimethyl-2,6-octadiene nitrile
trans-3,7-dimethyl-2,6-octadiene nitrile
trans-geranyl nitrile
2,6-octadienenitrile, 3,7-dimethyl-, (2E)-
2,6-octadienenitrile, 3,7-dimethyl-, (E)-
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