Results for:
PubChem ID: 6568

Butan-2-ol

Mass-Spectra

Compound Details

Synonymous names
2-Butanol
Butan-2-ol
sec-Butanol
78-92-2
SEC-BUTYL ALCOHOL
2-Hydroxybutane
2-Butyl alcohol
Butylene hydrate
1-Methyl-1-propanol
1-Methylpropyl alcohol
s-Butyl alcohol
Methyl ethyl carbinol
s-Butanol
Ethyl methyl carbinol
Butanol secondaire
Butanol-2
1-Methyl propanol
Methylethylcarbinol
Ethylmethyl carbinol
Butyl alcohol, sec-
Alcool butylique secondaire
Methylethyl carbinol
(+/-)-2-Butanol
CCS 301
2-Butanol (natural)
Caswell No. 119C
DL-sec-Butanol
NSC 25499
HSDB 674
(1)-Butan-2-ol
15892-23-6
UNII-0TUL3ENK62
Butanol secondaire [French]
EINECS 201-158-5
EINECS 240-029-8
0TUL3ENK62
MFCD00004569
DL-2-Butanol
EPA Pesticide Chemical Code 001502
n-Butan-2-ol
BRN 0773649
S.B.A.
DTXSID9021762
CHEBI:35687
R-(-)-2-Butanol
sec-C4H9OH
AI3-24189
secondary butyl alcohol
3-BUTANOL
Alcool butylique secondaire [French]
NSC-25499
DTXCID101762
EC 201-158-5
2-01-00-00400 (Beilstein Handbook Reference)
2-BUTANOL, (+/-)-
2-Butanol, anhydrous
Butanol secondaire (French)
2-Butylalcohol
Alcool butylique secondaire (French)
2-Butanol, (R)-
sec-Butyl Alcohol, (R)-(-)-
s-Butylalkohol
sec.-butanol
secondary butanol
D-sec-Butanol
L-sec-Butanol
rac-2-butanol
butane-2-ol
methylpropan-2-ol
racemic-2-butanol
sec-BuOH
rac-butan-2-ol
2-deuteriooxybutane
sec. butyl alcohol
sec.-butyl alcohol
s-BuOH
DL-Butan-2-ol
dl-Methylethylcarbinol
Butane, 2-hydroxy-
S(+)-2-butanol
2-Butanol, CP grade
2-Butanol, (S)-
2-Butanol, 99%
(+/-)butan-2-ol
.+/-.-2-Butanol
2-Butanol, >=99%
Pesticide Code: 001502
2-BUTANOL [USP-RS]
CHEMBL45462
2-Butanol, analytical standard
Propyl, 1-hydroxy-1-methyl-
2-butanol (sec-butyl alcohol)
WLN: QY2&1
SEC-BUTYL ALCOHOL [MI]
ASTM D3606 2-Butanol IS
2-Butanol, (.+/-.)-
BDBM36157
2-Butanol, anhydrous, 99.5%
SEC-BUTYL ALCOHOL [HSDB]
SEC-BUTYL ALCOHOL [INCI]
SEC-BUTYL ALCOHOL DL-FORM
2-Butanol, p.a., 99.0%
DTXSID501310231
AMY11001
NSC25499
Tox21_201092
BBL011463
STL146575
AKOS000249480
AKOS016352938
2-Butanol, ReagentPlus(R), >=99%
MCULE-5005120003
SB83819
CAS-78-92-2
SEC-BUTYL ALCOHOL DL-FORM [MI]
NCGC00090743-01
NCGC00090743-02
NCGC00258644-01
2-Butanol 100 microg/mL in Acetonitrile
SY050112
2-Butanol, SAJ first grade, >=98.0%
2-Butanol, JIS special grade, >=99.0%
DB-016763
DB-239823
B0705
NS00005548
EN300-19306
Q209332
2DD92146-ED3E-446F-8B14-A7DB1F14EF8C
2-Butanol, puriss. p.a., Reag. Ph. Eur., >=99.5% (GC)
2-Butanol, United States Pharmacopeia (USP) Reference Standard
2-Butanol, Pharmaceutical Secondary Standard; Certified Reference Material
(S)-(+)-2-Butanol ; sec-Butyl alcohol; sec-Butyl alcohol; (S)-(+)-2-Butanol
(R)-(-)-2-Butanol ; (R)-(-)-sec-Butyl alcohol; (R)-(-)-sec-Butyl alcohol; (R)-(-)-2-Butanol
14457-93-3
Microorganism:

Yes

IUPAC namebutan-2-ol
SMILESCCC(C)O
InchiInChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
FormulaC4H10O
PubChem ID6568
Molweight74.12
LogP0.6
Atoms5
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID45475
Supernatural-IDSN0034642

mVOC Specific Details

Boiling Point
DegreeReference
99.5 °C peer reviewed
Volatilization
The Henry's Law constant for sec-butyl alcohol is 9.06X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that sec-butyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 29 days(SRC). sec-Butyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of sec-butyl alcohol from dry soil surfaces may exist based upon a vapor pressure of 18.5 mm Hg(3).
Literature: (1) Snider JR, Dawson; J Geophys Res 90: 3797-3805 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of sec-butyl alcohol is estimated as 50(SRC), using a log Kow of 0.61(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that sec-butyl alcohol is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
18.3 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas MaltophiliaNANAShestivska et al. 2015
ProkaryotaStenotrophomonas RhizophilaNANAShestivska et al. 2015
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaKlebsiella PneumoniaeNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaStaphylococcus AureusNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNALawal et al. 2018
ProkaryotaStenotrophomonas RhizophilaLobaria pulmonaria lichen thalli, AustriaCernava et al. 2015
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaPseudomonas AeruginosaLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
ProkaryotaLactobacillus FermentumnanaPogačić et al. 2016
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
Lentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas RhizophilaMHBSIFT-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaKlebsiella PneumoniaeTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaStaphylococcus AureusTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaStenotrophomonas RhizophilaR2AGC/MS SPMEno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSB mediaHS-SPME/GC-MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaLactobacillus Fermentumcurd-based broth mediumGC/MSyes
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno