isoamyl alcohol
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IUPAC name :3-methylbutan-1-ol
InChI :InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey :PHTQWCKDNZKARW-UHFFFAOYAW
SMILES :CC(C)CCO
cas number :123-51-3
(EINECS) number :204-633-5
eu annex :603-006-00-7
beilstein number :1718835
fema number :2057
coe number :51
jecfa number :52
fl. number :02.003
molar refractivity :26.70 ± 0.3 cm3
parachor :245.1 ± 4.0 cm3
index of refraction :1.405 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.809 ± 0.06 g/cm3
polarizability :10.58 ± 0.5 10-24cm3
XlogP : 1.40
XlogP3 : 1.20
molecular weight : 88.1481800 (IUPAC)
formula :C5 H12 O
NMR Predictor :Predict
 
 
export tariff code :2905.15.0000
fda reg :172.515
Suppliers :
Advanced Biotech :isoamyl alcohol
95% min. natural
Berje :isoAmyl Alcohol
Cargill - Alfrebro :3-METHYL-1-BUTANOL
natural, Kosher
Cargill - Alfrebro :ISOAMYL ALCOHOL (EU NAT)
natural, Kosher
Elan :isoamyl alcohol
(natural), Kosher
Fleurchem :isoamyl alcohol
natural
Frutarom :ISOAMYL ALCOHOL
≥99.00% (sum of isomers), NI, Kosher
Odor:  Alcoholic, Fusel
Frutarom :NATURAL ISOAMYL ALCOHOL
≥98.00% (sum of isomers), natural, Kosher
Odor:  Alcoholic, Fusel
Mane :isoamyl alcohol
Moellhausen :isoamyl alcohol
99% min. nature identical kosher
Penta :isoamyl alcohol
natural
Robertet :Isoamyl alcohol
naturel
Sigma-Aldrich-SAFC :Isoamyl alcohol
≥98%, Kosher
Odor:  oily; whiskey
Sigma-Aldrich-SAFC :Isoamyl alcohol
≥98%, natural, Kosher, FG
Odor:  oily; whiskey
Ungerer :isoAmyl Alcohol
Natural
Vigon :Isoamyl Alcohol
Natural FCC
organoleptics :
odor type :fermented
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		fusel oil alcoholic whiskey fruity banana
substantivity :8  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.80700 to 8.13000 @ 25.00 °C.
pounds per gallon - calc. : 6.715 to 67.650
refractive index :1.40500 to 1.41000 @ 20.00 °C.
melting point :-117.00 to -116.00 °C. @ 760.00 mm Hg
boiling point : 131.00 to 133.00 °C. @ 760.00 mm Hg
boiling point : 68.00 to 69.00 °C. @ 50.00 mm Hg
vapor pressure :2.37000 mm/Hg @ 25.00 °C.
vapor density :3.0 ( Air = 1 )
flash point : 114.00  °F.  TCC  ( 45.56 °C. )
logP (o/w) : 1.22
safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 20 - Harmful by inhalation.
R 37 - Irritating to respiratory system.
R 66 - Repeated exposure may cause skin dryness or cracking.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  Oral-Rat    1300.00  mg/kg
South African Medical Journal. Vol. 43, Pg. 795, 1969.

Oral-Rabbit    3438.00  mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

intravenous-Mouse    234.00  mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.

Dermal Toxicity(LD50) :
  Skin-Rabbit  3970.00  ul/kg
South African Medical Journal. Vol. 43, Pg. 795, 1969.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for isoamyl alcohol usage levels up to :
 not for fragrance use.
recommendation for isoamyl alcohol usage levels up to :
  300.0000 ppm in the flavor.
safety references :
EPI System :view
IUCLID :view
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1105
 
WGK Germany :1
 
 
 
 3-methylbutan-1-ol
(EINECS) number :204-633-5
RTECS :123-51-3
chemidplus :000123513
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :123-51-3
dtp/nci :7905
references :
 3-methylbutan-1-ol
fl. number :02.003
jecfa number :52
NIST Chemistry WebBook :1528826941
pubchem :173301
Cosmetics :
Cosmetic uses : perfuming agents
solvents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
isobutyl carbinol
3-methyl butan-1-ol
3-methyl butanol
3-methyl-1-butanol
2-methyl-4-butanol
3-methylbutan-1-ol
isopentanol
isopentyl alcohol
soluble in :
 alcohol
 water, 26700 mg/L @ 25C
(odor and/or flavor) blends with :
 acetaldehyde diisoamyl acetal
 acetaldehyde dimethyl acetal
 allyl isovalerate
 allyl salicylate
 amyl acetate
isoamyl acetate
 amyl alcohol
 amyl butyrate
 amyl heptanoate
isoamyl hexanoate
isoamyl propionate
 benzyl methyl ether
 butyl acetate
isobutyl acetate
 butyl alcohol
isobutyl decanoate
 chamomile oil
 cognac oil white
 cyclohexyl formate
 cyclohexyl propionate
 decyl propionate
 diethyl maleate
2-ethyl butyl acetate
 ethyl butyrate
 ethyl formate
 ethyl heptanoate
 ethyl undecanoate
2-ethyl-4-butanol
 furfuryl acetate
4-heptanone
2-heptenoic acid
 hexanal diethyl acetal
 hexanol
(E)-2-hexen-1-yl valerate
 linalyl butyrate
 methyl 4-methyl valerate
2-methyl allyl butyrate
S-(methyl thio) hexanoate
4-methyl-2-penten-1-al
 orange oil bitter
2-pentanol
2-pentanone
 prenyl acetate
 propyl acetate
isopropyl acetate
 propyl alcohol
isopropyl butyrate
isopropyl octanoate
isopropyl propionate
(odor and/or flavor) used in :
 apple
 apricot
 banana
 beer
 chamomile
 cherry
 chocolate
 citronella
 coffee
 cranberry
 eucalyptus
 geranium
 malt
 plum
 plum greengage plum
 plum mirabelle plum
natural occurrence in :
apple
apple juice
banana
beer
blackberry
butter
caninha
chamomile
data pagechampaca concrete @ trace%
cherry sweet cherry
citronella
coffee roasted coffee
data pagecornmint oil india @ 0.08%
cranberry
data pageeriocephalus punctulatus oil @ 0.10%
geranium
data pagegingergrass oil @ 0.08%
orange juice
data pageosmanthus absolute @ 0.05%
potato chip
raisin
raspberry fruit
data pagerose oil otto bulgaria @ 0.01%
rum
strawberry
tea
tea
tomato
walnut



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