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
NMR Predictor :Predict
 
 
export tariff code :2905.15.0000
fda reg :172.515
176.180
176.210

Suppliers :
Inoue :AMYL ALCOHOL
Penta :amyl alcohol
Sigma-Aldrich-SAFC :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

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 :
 
recommendation for amyl alcohol usage levels up to :
 not for fragrance use.
recommendation for amyl alcohol 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

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

soluble in :
 alcohol
 water, 22000 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
2-acetyl pyrazine
2-acetyl pyrrole
2-acetyl-2-thiazoline
 allyl nonanoate
isoamyl acetoacetate
isoamyl alcohol
isoamyl laurate
 amyl octanoate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
 butyl acetoacetate
isobutyl acetoacetate
 butyl alcohol
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl hexanoate
 butyl lactate
 butyl laevo-lactate
 butyl undecylenate
 butyraldehyde
isobutyraldehyde propylene glycol acetal
 caraway seed oleoresin
dextro-carvone
 clary sage concrete
 coffee furanone
 cognac oil green
 cognac oil white
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
2,5-dihydroxy-1,4-dithiane
 diisoamyl thiomalate
 dimethyl anthranilate
2,6-dimethyl pyridine
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl chrysanthemate
 ethyl heptanoate
 ethyl nonanoate
 ethyl octanoate
2-ethyl-4-butanol
 farnesyl acetone
 filbert pyrazine
 furfural
 furfuryl alcohol
 furfuryl octanoate
 geranyl acetoacetate
laevo-glutamic acid
 hexanol
2-hexanol
(Z)-3-hexen-1-yl butyrate
 hexyl isobutyrate
 hexyl phenyl acetate
 maltol
 methyl decanoate
 methyl hydrocinnamate
 methyl nonanoate
 methyl thiol isovalerate
2-methyl-1-butanol
2-octen-4-one
 opoponax oil
 opoponax resinoid
 orangeflower concrete morocco
2-pentanol
2-pentanone
 phenethyl butyrate
 phenethyl senecioate
 propionaldehyde
2-propionyl thiazole
 propyl acetate
 propyl alcohol
 propyl heptanoate
 propyl nonanoate
 rose oil
 shoyu furanone
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
 toffee furanone
 valeraldehyde

(odor and/or flavor) used in :
 apple
 banana
 beer
 bread
 cereal
 chocolate cocoa
 cranberry
 eucalyptus
 nut
 orange bitter orange
 oregano
 raspberry
 tomato

natural occurrence in :
apple
apple juice
banana
beer
cherry sweet cherry
cocoa
cotton herb
cranberry
food
data pagemikan peel oil @ trace%
orange bitter orange
origanum
peppermint oil
potato chip
raspberry fruit
rice cooked rice
data pagerose oil otto bulgaria @ 0.02%
strawberry
tomato



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