butyl alcohol
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IUPAC name :butan-1-ol
InChI :InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey :LRHPLDYGYMQRHN-UHFFFAOYAS
SMILES :CCCCO
cas number :71-36-3
(EINECS) number :200-751-6
eu annex :603-004-00-6
beilstein number :0969148
fema number :2178
coe number :52
jecfa number :85
fl. number :02.004
molar refractivity :22.11 ± 0.3 cm3
parachor :208.0 ± 4.0 cm3
index of refraction :1.395 ± 0.02
surface tension :26.0 ± 3.0 dyne/cm
density :0.805 ± 0.06 g/cm3
polarizability :8.76 ± 0.5 10-24cm3
XlogP : 0.90
XlogP3 : 0.90
molecular weight : 74.1216000 (IUPAC)
formula :C4 H10 O
BioActivity Analysis :17388872
NMR Predictor :Predict
 
 
export tariff code :2905.13.0000
fda reg :172.515
172.560
175.105
175.320
176.180
176.200
176.210
177.1200
177.1440
177.1650
177.2800
73.100

Suppliers :
Advanced Biotech :butanol
98% min. natural
Odor:  Slight Whiskey
Berje :Butyl Alcohol
Cargill - Alfrebro :n-BUTANOL (EU NAT)
natural, Kosher
Fleurchem :butyl alcohol
natural
Inoue :BUTANOL
Penta :butyl alcohol
Penta :butyl alcohol
natural
Sigma-Aldrich-SAFC :Butyl alcohol
≥99.5%, FCC, Kosher
Sigma-Aldrich-SAFC :Butyl alcohol
≥99.5%, natural, FCC, Kosher
Vigon :Butyl Alcohol Normal
Natural
Vigon :Butyl Alcohol Normal
Synthetic

organoleptics :
odor type :fermented
odor strength :medium
odor description :
at 10.00 % in dipropylene glycol.  
fusel oil sweet balsam
substantivity :4  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.80700 to 0.80900 @ 25.00 °C.
pounds per gallon - calc. : 6.715 to 6.732
refractive index :1.39900 @ 20.00 °C.
melting point : -89.00 to -88.00 °C. @ 760.00 mm Hg
boiling point : 117.00 to 119.00 °C. @ 760.00 mm Hg
boiling point : 57.00 to 58.00 °C. @ 50.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :6.70000 mm/Hg @ 25.00 °C.
vapor density :2.5 ( Air = 1 )
flash point : 95.00  °F.  TCC  ( 35.00 °C. )
logP (o/w) : 0.88
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
R 67 - Vapours may cause frowsiness and dizziness.
S 02 - Keep out of the reach of children.
S 07/09 - Keep container tightly closed and in well-ventilated place.
S 13 - Keep away from food, drink and animal feedingstuffs.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  Oral-Rat    790.00  mg/kg
South African Medical Journal. Vol. 43, Pg. 795, 1969.

intravenous-Rat    310.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Rat    1122.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Oral-Rabbit    3484.00  mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

Oral-Mouse    2680.00  mg/kg
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(11), Pg. 57, 1981.

intravenous-Mouse    377.00  mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.

Intraperitoneal-Mouse    254.00  mg/kg
Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.

Oral-Bird - wild    2500.00  mg/kg
Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Dermal Toxicity(LD50) :
  Skin-Rabbit  3400.00  mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 10, 1974.

Subcutaneous-Mouse  3200.00  mg/kg
Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

Inhalation Toxicity(LC50) :
  Inhalation-Rat  8000.00  ppm/4H
  Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 10, 1974.

Inhalation-Mammal ?  28400.00  mg/m3
  Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.

 

safety in use :
 
recommendation for butyl alcohol usage levels up to :
 not for fragrance use.
recommendation for butyl alcohol usage levels up to :
  35.0000 ppm in the flavor.

safety references :
EPI System :view
IUCLID :view
EPA-Iris :IRIS
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
EPA GENetic TOXicology :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 1120
 
WGK Germany :1
 
 
 
 butan-1-ol
(EINECS) number :200-751-6
RTECS :71-36-3
chemidplus :000071363
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :71-36-3
dtp/nci :62782

references :
 butan-1-ol
fl. number :02.004
jecfa number :85
NIST Chemistry WebBook :4004658857
pubchem :149208

Cosmetics :
Cosmetic uses : denaturants
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
Household Products : Search
synonyms :
 butan-1-ol
N-butan-1-ol
1-butanol
N-butanol
1-butyl alcohol
N-butyl alcohol
primary-butyl alcohol
 butyl hydroxide
1-hydroxybutane
 methylol propane
 primary butyl alcohol
 propyl carbinol
 propyl methanol

soluble in :
 alcohol
 water, 63200 mg/L @ 25C

(odor and/or flavor) blends with :
 amyl alcohol
isoamyl alcohol
 benzyl benzoate
 butyl acetoacetate
 butyl lactate
 butyl laevo-lactate
 cedarwood oil virginia
 cognac oil white
 dihydrolinalool
 diisoamyl thiomalate
3,6-dimethyl-3-octanol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
2-ethyl-4-butanol
 geranyl acetoacetate
 hexanol
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 methyl thiol isovalerate
 octyl phenyl acetate
2-pentanol
 propyl acetate
 propyl alcohol
 tetrahydrolinalool
 valeraldehyde

(odor and/or flavor) used in :
 apple
 chamomile
 cheese swiss cheese
 peppermint
 tea green tea
 tomato

natural occurrence in :
apple
apple juice
beer
butter
cheese swiss cheese
orange juice
peppermint oil
roman chamomile oil
strawberry
tea
tomato



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