2-butanol
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IUPAC name :butan-2-ol
InChI :InChI=1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey :BTANRVKWQNVYAZ-UHFFFAOYAZ
SMILES :CCC(C)O
cas number :78-92-2
(EINECS) number :201-158-5
eu annex :603-004-00-6
beilstein number :0773649
coe number :11735
fl. number :02.121
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 : 0.70
XlogP3 : 0.60
molecular weight : 74.1216000 (IUPAC)
formula :C4 H10 O
BioActivity Analysis :17389639
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
176.180

Suppliers :
Penta :2-butanol
Pfaltz & Bauer :sec-Butanol
99%
Sigma-Aldrich-SAFC :2-Butanol
99%
TCI AMERICA :2-Butanol
>99.0%(GC)

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet apricot

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.80800 @ 25.00 °C.
refractive index :1.39390 @ 25.00 °C.
melting point :-115.00 °C. @ 760.00 mm Hg
boiling point : 98.00 to 100.00 °C. @ 760.00 mm Hg
vapor pressure :12.50000 mm/Hg @ 20.00 °C.
vapor density :2.6 ( Air = 1 )
flash point : 80.00  °F.  TCC  ( 26.67 °C. )
logP (o/w) : 0.61

safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 36/37 - Irritating to eyes and respiratory system.
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 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 46 - If swallowed, seek medical advice immediately and show this container or label.
Oral Toxicity(LD50) :
  Oral-Rat    2193.00  mg/kg
National Technical Information Service. Vol. OTS0557575

intravenous-Rat    138.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Rat    1193.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Oral-Rabbit    4893.00  mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

Intraperitoneal-Rabbit    277.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

intravenous-Mouse    764.00  mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.

Intraperitoneal-Mouse    771.00  mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961.

Intraperitoneal-Hamster    1218.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Intraperitoneal-Guineapig    1067.00  mg/kg
EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.

Dermal Toxicity(LD50) :
  Skin-Rat  >2000.00  mg/kg
National Technical Information Service. Vol. OTS0557575

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 2-butanol usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
IUCLID :view
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
AIDS Citations :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 1120
 
WGK Germany :1
 
 
 
 butan-2-ol
(EINECS) number :201-158-5
RTECS :78-92-2
chemidplus :000078922
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :78-92-2
dtp/nci :25499

references :
 butan-2-ol
fl. number :02.121
NIST Chemistry WebBook :3946656178
pubchem :149532

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
synonyms :
 butan-2-ol
dextro,laevo-sec-butanol
racemic-2-butanol
s-butanol
sec-butanol
(±)-sec-butyl alcohol
2-butyl alcohol
s-butyl alcohol
sec-butyl alcohol
 butylene hydrate
 ethyl methyl carbinol
2-hydroxybutane
 methyl ethyl carbinol
dextro,laevo-methyl ethyl carbinol
1-methyl propanol
1-methyl propyl alcohol
1-methyl-1-propanol

soluble in :
 alcohol
 water, 181000 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin butyrate
 acetyl propionyl
 allyl cyclohexyl valerate
 allyl propionate
 amyl 2-methyl butyrate
isoamyl 3-methyl thiopropionate
isoamyl butyrate
 amyl isobutyrate
isoamyl isobutyrate
 amyl isovalerate
isoamyl nonanoate
 amyl propionate
isoamyl propionate
isoamyl valerate
 apple ketal
 apricot isobutyrate
 benzyl butyrate
 benzyl heptanoate
 benzyl hexanoate
 benzyl isovalerate
 benzyl propionate
 buchu mercaptan
 butyl butyryl lactate
isobutyl decanoate
 butyl decylenate
 butyl heptanoate
 butyl isovalerate
isobutyl isovalerate
 butyl nonanoate
 butyric acid
isobutyric acid
 cassis pentanone
 citronellyl acetate
 citronellyl formate
 cyclohexyl acetic acid
 cyclohexyl butyrate
 cyclohexyl carboxylic acid
 cyclohexyl isovalerate
alpha-damascone
gamma-damascone
 decen-1-yl cyclopentanone
3-decen-2-one
 diethyl 1-malate
 dihydroactinidolide
alpha,alpha-dimethyl benzyl isobutyrate
 dimethyl sulfoxide
2,4-dimethyl-2-pentenoic acid
 ethyl (E,Z)-2,4-decadienoate
 ethyl 3-octenoate
 ethyl cyclohexyl carboxylate
 ethyl decanoate
 ethyl isovalerate
 ethyl octanoate
 ethyl valerate
 filbert hexenone
 fruity cyclopentanone
 fruity ketal
2-furyl pentyl ketone
 geranyl isobutyrate
 geranyl isovalerate
 geranyl methyl ethyl acetate
 geranyl methyl tiglate
(E,E)-2,4-heptadien-1-ol
 heptanal dimethyl acetal
2,3-heptane dione
4-heptanone
 heptyl 2-methyl butyrate
 heptyl acetate
 heptyl isobutyrate
 heptyl propionate
 hexanoic acid
(E)-2-hexen-1-al
(Z)-3-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexenoic acid
 hexyl 2-methyl butyrate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 jasmin lactone
 linalyl isovalerate
 linalyl valerate
 maltyl isobutyrate
 marine formate
 methyl 2-(methyl thio) butyrate
2-methyl 3-(methyl thio) furan 10% in triacetin
 methyl 4-(methyl thio) butyrate
 methyl 4-methyl valerate
2-methyl butyl isovalerate
 methyl butyrate
2-methyl butyric acid
 methyl citronellate
2-methyl heptanoic acid
2-methyl hexanoic acid
5-methyl hexanoic acid
 methyl isovalerate
4-methyl pentanoic acid
S-(methyl thio) butyrate
 methyl thiol isovalerate
 methyl thiomethyl butyrate
 methyl valerate
2-methyl valeric acid
3-methyl valeric acid
2-methyl-2-hexenoic acid
2-methyl-4-pentenoic acid
 nonanoic acid
2-nonanol
 nonyl isovalerate
 nutty quinoxaline
 octanoic acid
2-octen-4-one
(E)-2-octenoic acid
 passiflora acetate
 peach cyclopentanone
(E)-2-penten-1-al
1-penten-3-ol
(E)-2-pentenoic acid
4-pentenoic acid
 phenethyl acetate
 phenethyl heptanoate
 phenethyl isovalerate
1-phenyl propyl butyrate
2-phenyl propyl butyrate
3-phenyl propyl cinnamate
 prenyl hexanoate
 propyl butyrate
 propyl heptanoate
 propyl isobutyrate
 propyl isovalerate
isopropyl isovalerate
 propyl phenyl acetate
 sorbyl butyrate
 tetrahydrofurfuryl butyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
gamma-undecalactone
 undecanoic acid
isovaleraldehyde propylene glycol acetal
 viridiflorol

(odor and/or flavor) used in :
 apple
 apricot
 orange
 peach

natural occurrence in :
apple juice 677 ppm
butter 115 ppm
cheese cheddar cheese 16191 ppm
data pagemikan peel oil @ 0.01%
orange juice 74 ppm
potato chip 9 ppm



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