isobutyl alcohol
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IUPAC name :2-methylpropan-1-ol
InChI :InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey :ZXEKIIBDNHEJCQ-UHFFFAOYAQ
SMILES :CC(C)CO
cas number :78-83-1
(EINECS) number :201-148-0
eu annex :603-004-00-6
beilstein number :1730878
fema number :2179
coe number :49
jecfa number :251
fl. number :02.001
molar refractivity :22.07 ± 0.3 cm3
parachor :205.4 ± 4.0 cm3
index of refraction :1.393 ± 0.02
surface tension :24.3 ± 3.0 dyne/cm
density :0.801 ± 0.06 g/cm3
polarizability :8.75 ± 0.5 10-24cm3
XlogP : 0.60
XlogP3 : 0.80
molecular weight : 74.1216000 (IUPAC)
formula :C4 H10 O
BioActivity Analysis :17389641
NMR Predictor :Predict
 
 
export tariff code :2905.14.5010
fda reg :172.515
172.859
175.105
176.180
176.200
176.210
177.1200
177.2800
73.1
Suppliers :
Advanced Biotech :isobutyl alcohol
99% min. natural
Odor:  Whiskey
Berje :isoButyl Alcohol
Cargill - Alfrebro :ISOBUTYL ALCOHOL (EU NAT)
natural, Kosher
Elan :isobutyl alcohol
(natural), Kosher
Fleurchem :isobutyl alcohol
natural
Frutarom :NATURAL ISOBUTYL ALCOHOL
≥95.00%, natural, Kosher
Odor:  Etheral, Vinous
Penta :isobutyl alcohol
Penta :isobutyl alcohol
natural
Sigma-Aldrich-SAFC :Isobutyl alcohol
≥99%, FCC, Kosher, FG
Odor:  fruity; wine-like
Sigma-Aldrich-SAFC :Isobutyl alcohol
≥99%, natural, FCC, Kosher
Odor:  fruity; wine-like
Ungerer :isoButyl Alcohol
Natural
Vigon :Isobutyl Alcohol
Synthetic
Vigon :Isobutyl Alcohol
Natural
organoleptics :
odor type :ethereal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		ether wine
substantivity :4  Hour(s)
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.79900 to 0.80100 @ 25.00 °C.
pounds per gallon - calc. : 6.648 to 6.665
refractive index :1.39600 @ 20.00 °C.
melting point :-108.00 to -107.00 °C. @ 760.00 mm Hg
boiling point : 108.00 to 109.00 °C. @ 760.00 mm Hg
boiling point : 47.00 to 48.00 °C. @ 50.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :9.00000 mm/Hg @ 20.00 °C.
vapor density :2.55 ( Air = 1 )
flash point : 82.00  °F.  TCC  ( 27.78 °C. )
logP (o/w) : 0.76
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
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 20/21 - When using do not eat, drink or smoke.
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    2460.00  mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

intravenous-Rat    340.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Rat    720.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Rabbit    323.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

intravenous-Mouse    417.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Mouse    544.00  mg/kg
Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.

Intraperitoneal-Hamster    1401.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Guineapig    1201.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Dermal Toxicity(LD50) :
  Skin-Rabbit  3400.00  mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 11, 1974.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for isobutyl alcohol usage levels up to :
 not for fragrance use.
recommendation for isobutyl 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
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 1212
 
WGK Germany :1
 
 
 
 2-methylpropan-1-ol
(EINECS) number :201-148-0
RTECS :78-83-1
chemidplus :000078831
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :78-83-1
dtp/nci :5708
references :
 2-methylpropan-1-ol
fl. number :02.001
jecfa number :251
NIST Chemistry WebBook :1852210359
pubchem :149524
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 :
isobutanol
1-hydroxymethyl propane
2-methyl propan-1-ol
2-methyl propanol
2-methyl propyl alcohol
2-methyl-1-propanol
2-methylpropan-1-ol
isopropyl carbinol
soluble in :
 alcohol
 water, 85000 mg/L @ 25C
(odor and/or flavor) blends with :
 acetaldehyde
 acetaldehyde diisoamyl acetal
 allyl nonanoate
isoamyl acetoacetate
 amyl formate
 amyl heptanoate
isoamyl laurate
 amyl octanoate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
 benzyl methyl ether
isobutyl acetate
isobutyl acetoacetate
 butyl angelate
 butyl anthranilate
isobutyl formate
 butyl hexanoate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 cognac oil green
 cognac oil white
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dimethyl anthranilate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetate
 ethyl aconitate
2-ethyl butyl acetate
2-ethyl butyraldehyde
 ethyl chrysanthemate
 ethyl heptanoate
 ethyl nonanoate
 ethyl octanoate
 ethyl pyruvate
2-ethyl-4-butanol
 farnesyl acetone
 geranyl acetoacetate
2-heptenoic acid
2-hexanol
(Z)-3-hexen-1-yl butyrate
 hexyl isobutyrate
 hexyl phenyl acetate
 methyl acetate
2-methyl allyl butyrate
 methyl decanoate
 methyl ethyl ketone
 methyl hydrocinnamate
 methyl nonanoate
S-(methyl thio) hexanoate
2-methyl valeraldehyde
2-methyl-1-butanol
2-pentanone
(Z)-2-penten-1-ol
 phenethyl senecioate
 propionaldehyde
isopropyl acetate
isopropyl butyrate
 propyl heptanoate
isopropyl propionate
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
(odor and/or flavor) used in :
 apple
 beeswax cire d'abeille
 bread white bread
 citronella
 cranberry
 currant
 wine
natural occurrence in :
apple
apple juice
beer
bread white bread
caninha
citronella java
cranberry
eucalyptus amygdalina
raspberry
tea



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