amyl alcohol
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IUPAC name :pentan-1-ol
InChI :InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey :AMQJEAYHLZJPGS-UHFFFAOYAF
SMILES :CCCCCO
cas number :71-41-0
(EINECS) number :200-752-1
eu annex :603-006-00-7
beilstein number :1730975
fema number :2056
coe number :514
jecfa number :88
fl. number :02.040
molar refractivity :26.74 ± 0.3 cm3
parachor :247.8 ± 4.0 cm3
index of refraction :1.407 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.811 ± 0.06 g/cm3
polarizability :10.60 ± 0.5 10-24cm3
XlogP : 1.40
XlogP3 : 1.60
molecular weight : 88.1481800 (IUPAC)
formula :C5 H12 O
BioActivity Analysis :48414933
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2905.15.0000
fda reg :172.515
176.180
176.210
Suppliers :
Inoue :AMYL ALCOHOL
Penta :amyl alcohol
SAFC Global® :Amyl alcohol
≥99%
Vigon :Amyl Alcohol Normal
FCC
Odor:  WINEY
Vigon :Amyl Alcohol Primary
Mixed Isomers 35/65
Odor:  DISAGREEABLE, ALCOHOL-LIKE
organoleptics :
odor type :fermented
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		fusel oil sweet balsam
odor description:
Pungent, fermented, bready, yeasty, fusel, winey and solvent-like
Mosciano, Gerard P&F 22, No. 5, 67, (1997)
taste description:
at 50.00 ppm.  		Intense fusel, fermented, bready and cereal with a fruity undernote
Mosciano, Gerard P&F 22, No. 5, 67, (1997)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.81000 to 0.81600 @ 25.00 °C.
pounds per gallon - calc. : 6.740 to 6.790
refractive index :1.40700 to 1.41200 @ 20.00 °C.
melting point : -78.00 °C. @ 760.00 mm Hg
boiling point : 136.00 to 138.00 °C. @ 760.00 mm Hg
vapor pressure :2.20000 mm/Hg @ 25.00 °C.
vapor density :3.0 ( Air = 1 )
flash point : 120.00  °F.  TCC  ( 48.89 °C. )
logP (o/w) : 1.51
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 23 - Do not breath fumes.
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    5660.00  ul/kg
National Technical Information Service. Vol. OTS0534716

intravenous-Rat    196.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Rat    579.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Rabbit    140.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Oral-Mouse    200.00  mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(9), Pg. 88, 1970.

intravenous-Mouse    184.00  mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.

Intraperitoneal-Mouse    970.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  2830.00  ul/kg
National Technical Information Service. Vol. OTS0534716

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for amyl alcohol fragrance usage levels up to :
 not for fragrance use.
recommendation for amyl alcohol flavor usage levels up to :
  340.0000 ppm in the flavor.
safety references :
EPI System :view
IUCLID :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1105
 
WGK Germany :1
 
 
 
 
pentan-1-ol
(EINECS) number :200-752-1
RTECS :71-41-0
chemidplus :000071410
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :71-41-0
dtp/nci :5707
references :
 
pentan-1-ol
fl. number :02.040
jecfa number :88
NIST Chemistry WebBook :4084735043
pubchem :149209
Flavornet :71-41-0
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
synonyms :
 alcohol C-5
N-amyl alcohol
primary-amyl alcohol
 butyl carbinol
N-butyl carbinol
 pentan-1-ol
N-pentan-1-ol
 pentanol
1-pentanol
N-pentanol
 pentyl alcohol
1-pentyl alcohol
N-pentyl alcohol
Similar Products:    note
isoamyl alcohol
neoamyl alcohol
sec-amyl alcohol
sec-isoamyl alcohol
tert-amyl alcohol
soluble in :
 alcohol
 water, 22000 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
2-acetyl pyrazineFL/FR
2-acetyl pyrroleFL/FR
2-acetyl-2-thiazolineFL
 allyl nonanoateFL/FR
isoamyl acetoacetateFL/FR
isoamyl alcoholFL
isoamyl laurateFL/FR
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 benzaldehyde dimethyl acetalFL/FR
 butyl acetoacetateFL/FR
isobutyl acetoacetateFL/FR
 butyl alcoholFL/FR
isobutyl alcoholFL
 butyl angelateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyl undecylenateFL/FR
 butyraldehydeFL
isobutyraldehyde propylene glycol acetalFL
 caraway seed oleoresinFL
dextro-carvoneFL/FR
 clary sage concreteFL/FR
 coffee furanoneFL
 cognac oil greenFL/FR
 cognac oil whiteFL/FR
 diethyl 1-malateFL
 diethyl laevo-tartrateFL
 diethyl malateFL
 diethyl sebacateFL/FR
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
 dimethyl anthranilateFL/FR
2,6-dimethyl pyridineFL
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl aconitateFL
 ethyl chrysanthemateFR
 ethyl heptanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
2-ethyl-4-butanolFL/FR
 farnesyl acetoneFL/FR
 filbert pyrazineFL
 furfuralFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 geranyl acetoacetateFL/FR
laevo-glutamic acidCS
 hexanolFL/FR
2-hexanolFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 maltolFL/FR
 methyl decanoateFL/FR
 methyl hydrocinnamateFL/FR
 methyl nonanoateFL
 methyl thiol isovalerateFL
2-methyl-1-butanolFL/FR
2-octen-4-oneFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 orangeflower concrete moroccoFR
2-pentanolFL
2-pentanoneFL/FR
 phenethyl butyrateFL/FR
 phenethyl senecioateFL/FR
 propionaldehydeFL
2-propionyl thiazoleFL
 propyl acetateFL/FR
 propyl alcoholFL/FR
 propyl heptanoateFL/FR
 propyl nonanoateFL/FR
 rose oilFL/FR
 shoyu furanoneFL/FR
 sorbyl butyrateFL/FR
 sorbyl propionateFL/FR
 terpinyl cinnamateFL/FR
 toffee furanoneFL/FR
 valeraldehydeFL/FR
potential uses :
 apple
 banana
 beer
 bread
 cereal
 chocolate cocoa
 cranberry
 eucalyptus
 nut
 orange bitter orange
 oregano
 raspberry
 tomato
natural occurrence in :    note
 apple  
 apple juice  
 banana  
 beer  
 cherry sweet cherry  
 cocoa S
 cotton herb  
 cranberry S
 food  
data pagemikan peel oil @ trace% S
 orange bitter orange S
 origanum  
 peppermint oil S
 potato chip  
 raspberry fruit  
PbMdrice cakes  
 rice cooked rice  
data pagerose oil otto bulgaria @ 0.02% S
 strawberry S
 tomato  

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