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isopentylidene isopentyl amine

Chemical Structure

General Material Information

Preferred name isopentylidene isopentyl amine
Trivial Name N-Isopentylideneisopentylamine
Short Description isopentylidene isopentylamine
Formula C10 H21 N
CAS Number 35448-31-8
FEMA Number 3990
Flavis Number 11.017
FDA UNII QID90Z5HCR
Nikkaji Number J422.342J
xLogP3-AA 2.80 (est)
NMR Predictor External link
JECFA Food Flavoring 1606 isopentylidene isopentylamine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 35448-31-8 ; ISOPENTYLIDENEISOPENTYLAMINE
Synonyms
  • N-iso amylidene-isoamyl amine
  • 1-butanamine, 3-methyl-N-(3-methylbutylidene)-
  • N-(3-methyl butylidene)-3-methyl-1-butyl amine
  • 3-methyl-N-(3-methylbutyl)butan-1-imine
  • 3-methyl-N-(3-methylbutylidene)-1-butanamine
  • N-(3-methylbutylidene)-3-methyl-1-butylamine
  • N-iso pentylidene isopentyl amine
  • iso pentylidene isopentylamine
  • 3-methyl-N-(3-methylbutyl)butan-1-imine
  • 1-Butanamine, 3-methyl-N-(3-methylbutylidene)-
  • 3-Methyl-N-(3-methylbutylidene)-1-butanamine
  • N-Isopentylideneisopentylamine
  • N-Isoamylidene-isoamylamine

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

3-methyl-N-(3-methylbutyl)butan-1-imine
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:35448-31-8
Pubchem (cid):118823
Pubchem (sid):135074717
Publications by Info
aliphatic and aromatic amines and amides derivatives

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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB32350
FooDB:FDB009647
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 155.28436279297
Specific gravity @ 25 °C
Pounds per Gallon 6.391 to 6.44
Refractive Index 1.422 to 1.428 @ 20 °C
Boiling Point 145 to 148°C @ 760 mm Hg
Vapor Pressure 0.239 mmHg @ 25 °C
Flash Point TCC Value 74.44 °C TCC
logP (o/w) 3.662 est
Solubility
alcohol Yes
heptane Yes
triacetin Yes
water, 42.96 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fishy
fishy
General comment At 0.10 % in propylene glycol. fishy

Occurrences

Safety Information

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for isopentylidene isopentyl amine usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 20
Click here to view publication 20
average usual ppmaverage maximum ppm
baked goods: 0.150000.80000
beverages(nonalcoholic): 0.010000.10000
beverages(alcoholic): 0.050000.30000
breakfast cereal: 0.010000.05000
cheese: --
chewing gum: 0.120001.00000
condiments / relishes: --
confectionery froastings: 0.050000.50000
egg products: 0.050000.50000
fats / oils: 0.090000.80000
fish products: --
frozen dairy: 0.030000.30000
fruit ices: 0.020000.20000
gelatins / puddings: 0.020000.20000
granulated sugar: --
gravies: 0.050000.50000
hard candy: 0.100000.70000
imitation dairy: --
instant coffee / tea: 0.020000.10000
jams / jellies: --
meat products: 0.050000.50000
milk products: 0.110000.70000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 0.100000.50000
soft candy: 0.130000.60000
soups: 0.010000.08000
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 86, (FGE.86)[1] - Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives - Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 86, Revision 1 (FGE.86Rev1): Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 86, Revision 2 (FGE.86Rev2): Consideration of aliphatic and arylalkyl amines and amides evaluated by JECFA (65th meeting)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):35448-31-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :118823
National Institute of Allergy and Infectious Diseases:Data
3-methyl-N-(3-methylbutyl)butan-1-imine
Chemidplus:0035448318