isoamyl amine
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IUPAC name :3-methylbutan-1-amine
InChI :InChI=1/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKey :BMFVGAAISNGQNM-UHFFFAOYAE
SMILES :CC(C)CCN
cas number :107-85-7
(EINECS) number :203-526-0
beilstein number :1209230
fema number :3219
coe number :512
jecfa number :1587
fl. number :11.001
molar refractivity :28.70 ± 0.3 cm3
parachor :257.4 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :25.0 ± 3.0 dyne/cm
density :0.757 ± 0.06 g/cm3
polarizability :11.38 ± 0.5 10-24cm3
XlogP : 1.30
XlogP3-AA : 1.00
molecular weight : 87.1634200 (IUPAC)
formula :C5 H13 N
BioActivity Analysis :73671
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :isopentyl amine
Sigma-Aldrich-SAFC :Isopentylamine
≥98%
TCI AMERICA :isoamylamine
>98.0%(GC)(T)

organoleptics :
odor type :ammoniacal
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
unpleasent ammonia

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.74700 to 0.75300 @ 25.00 °C.
pounds per gallon - calc. : 6.216 to 6.266
refractive index :1.40500 to 1.41100 @ 20.00 °C.
melting point : -60.00 °C. @ 760.00 mm Hg
boiling point : 95.00 to 97.00 °C. @ 760.00 mm Hg
vapor density :3 ( Air = 1 )
flash point : 62.00  °F.  TCC  ( 16.67 °C. )
logP (o/w) : 1.25

safety :
most important hazard(s) :C - Corrosive.
  R 11 - Highly flammable.
R 22 - Harmful if swallowed.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :24.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.07 (μg/capita/day)
Threshold of concern :1800 (μg/person/day)
 
recommendation for isoamyl amine usage levels up to :
 not for fragrance use.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1106
 
WGK Germany :1
 
 
 
 3-methylbutan-1-amine
(EINECS) number :203-526-0
chemidplus :000107857
EPA Substance Registry Services :107-85-7
dtp/nci :7907

references :
 3-methylbutan-1-amine
fl. number :11.001
jecfa number :1587
NIST Chemistry WebBook :1726479309
pubchem :151000

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
1-amino-3-methyl butane
1-aminoisopentane
isobutyl carbyl amine
3,3-dimethyl propyl amine
 leucamine
3-methyl butyl amine
3-methyl-1-butanamine
3-methylbutan-1-amine
isopentyl amine
isovaleryl amine

soluble in :
 alcohol
 propylene glycol
 water
 glycerin

natural occurrence in :
not found in nature



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Html Last modified 11/15/2009