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2-Butanol

PubChem CID: 6568

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Compound Synonyms 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, MFCD00004569, 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, DL-2-Butanol, EPA Pesticide Chemical Code 001502, n-Butan-2-ol, BRN 0773649, S.B.A., DTXSID9021762, CHEBI:35687, 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 DL-FORM, 2-Butanol, p.a., 99.0%, DTXSID501310231, DCA71661, NSC25499, Tox21_201092, BBL011463, STL146575, AKOS000249480, AKOS016352938, 2-Butanol, ReagentPlus(R), >=99%, FB34693, 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, 201-158-5, 240-029-8
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class Fatty alcohols
Deep Smiles CCCO)C
Heavy Atom Count 5.0
Classyfire Class Organooxygen compounds
Description Diluent in colour additive mixtures for marking food PVA is an atactic material but exhibits crystallinity as the hydroxyl groups are small enough to fit into the lattice without disrupting it., Polyvinyl alcohol (PVOH, PVA, or PVAL) is a water-soluble synthetic polymer (not to be confused with polyvinyl acetate, a popular wood glue)., Polyvinyl alcohol has excellent film forming, emulsifying, and adhesive properties. It is also resistant to oil, grease and solvent. It is odorless and nontoxic. It has high tensile strength and flexibility, as well as high oxygen and aroma barrier properties. However these properties are dependent on humidity, in other words, with higher humidity more water is absorbed. The water, which acts as a plasticiser, will then reduce its tensile strength, but increase its elongation and tear strength. PVA is fully degradable and is a quick dissolver. PVA has a melting point of 230°C and 180?190°C for the fully hydrolysed and partially hydrolysed grades, respectively. It decomposes rapidly above 200°C as it can undergo pyrolysis at high temperatures.
Classyfire Subclass Alcohols and polyols
Isotope Atom Count 0.0
Molecular Complexity 19.6
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P16473, P27695
Iupac Name butan-2-ol
Prediction Hob 1.0
Class Alcohols and polyols
Veber Rule True
Classyfire Superclass Organic oxygen compounds
Target Id NPT210
Xlogp 0.6
Superclass Organooxygen compounds
Subclass Secondary alcohols
Gsk 4 400 Rule True
Molecular Formula C4H10O
Prediction Swissadme 0.0
Inchi Key BTANRVKWQNVYAZ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 1.0
Logs 0.723
Rotatable Bond Count 1.0
State Liquid
Logd 0.229
Synonyms Airvol 125, Airvol 165, Airvol MH-82, MM-14, MM-51, MM-81, Airvol SH-72, SM-73, Alcotex 17F-H, Alcotex 88/05, Alcotex 88/10, Alcotex 99/10, Alkenols, Alkotex, Alvyl, Aracet apv, CH2=CHOH, Cipoviol W 72, Covol, Covol 971, Elvanol, Elvanol 20-25, Elvanol 50-42, Elvanol 51-05G, Elvanol 5105, Elvanol 52-22, Elvanol 52-22G, Elvanol 522-22, Elvanol 70-05, Elvanol 71-30, Elvanol 90-50, Elvanol T 25, Enbra ov, ENOL, Enol ether, Enol ethers, Enols, Ethenol, Ethenol homopolymer, 9CI, Ethenol, homopolymer, Galvatol 1-60, Gelvatol, Gelvatol 1-30, Gelvatol 1-60, Gelvatol 1-90, Gelvatol 20-30, Gelvatol 2060, Gelvatol 2090, Gelvatol 3-91, GLO 5, Gohsenol, Gohsenol AH 22, Gohsenol GH, Gohsenol GH 17, Gohsenol GH 20, Gohsenol GH 23, Gohsenol GL 03, Gohsenol GL 05, Gohsenol GL 08, Gohsenol GM 14, Gohsenol GM 14L, Gohsenol GM 94, Gohsenol KH 17, Gohsenol N 300, Gohsenol NH 05, Gohsenol NH 17, Gohsenol NH 18, Gohsenol NH 20, Gohsenol NH 26, Gohsenol nk 114, Gohsenol NL 05, Gohsenol NL05, Gohsenol NM 114, Gohsenol NM 14, Gosenol KH-17, Gtohsenol GL 05, Hydroxyethene, Hydroxyethylene, Kuralon VP, Kurare 217, Kurare Poval 120, Kurare Poval 1700, Kurare PVA 205, Kurate poval 120, Lamephil oj, Lemol, Lemol 5-88, Lemol 5-98, Lemol GF-60, Mowiol, Mowiol 26-88, Mowiol 4-88, Mowiol N 30-88, Mowiol N 50-98, Mowiol N 50/88, Mowiol N 70-98, Poly(1-hydroxyethylene), Polydesis, Polysizer 173, Polyvinol, Polyvinyl alcohol, Polyvinyl alcohol, fully hydrolyzed, Polyvinyl alcohol, super hydrolyzed, Polyvinyl alcohol, tackified, Polyviol, Polyviol M 13/140, Polyviol MO 5/140, Polyviol W 25/140, Polyviol W 28/20, Polyviol W 40/140, Poval, Poval 117, Poval 120, Poval 203, Poval 205, Poval 205S, Poval 217, Poval 217S, Poval 420, Poval C 17, PVA, Pva (van), PVAL, PVS 4, Release agent nl-2, Resistoflex, Rhodoviol, Rhodoviol 16/200, Rhodoviol 4-125P, Rhodoviol 4/125, Rhodoviol R 16/20, Sloviol r, Solvar, Sumitex H 10, Vibatex s, Vinacol MH, Vinalak, Vinarol, Vinarol DT, Vinarol ST, Vinarole, Vinavilol 2-98, Vinnarol, Vinol, Vinol 125, Vinol 205, Vinol 351, Vinol 523, Vinol unisize, Vinyl alcohol, Vinyl alcohol polymer, Vinyl alcohol, polymers, Vinylon Film 2000, Vinylon Film 3000, Vinylon Film VF-A 2500, Warcopolymer A 20, (+/-)-2-Butanol, 1-Methyl propanol, 1-Methyl-1-propanol, 1-Methylpropyl alcohol, 2-Butyl alcohol, 2-Hydroxybutane, Alcool butylique secondaire, Butan-2-ol, Butanol secondaire, Butanol-2, Butylene hydrate, D-Sec-butanol, Ethyl methyl carbinol, Isobutyl alcohol, L-Sec-butanol, Methyl ethyl carbinol, Methylethylcarbinol, n-Butan-2-ol, S-Butanol, S-Butyl alcohol, S-Butylalkohol, S.b.a., Sec-Butanol, Sec-Butyl alcohol, Sec-Butyl hydroxide, Sec-C4H9OH, Sec-butanol, Sec-butyl alcohol, 2-Butanol, 2-Butanol, (+)-isomer, 2-Butanol, (-)-isomer, 2-Butanol, lithium salt, (S)-isomer, 2-Butanol, aluminum salt, 2-Butanol, lithium salt, (R)-isomer, 2-Butanol, (+-)-isomer, 2-Butanol, lithium salt, (+-)-isomer, 2-butanol, 2-butanol*, butan-2-ol
Substituent Name Secondary alcohol, Hydrocarbon derivative, Aliphatic acyclic compound
Esol Class Very soluble
Functional Groups CO
Compound Name 2-Butanol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 74.0732
Formal Charge 0.0
Monoisotopic Mass 74.0732
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 74.12
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -0.6178625999999998
Inchi InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
Smiles CCC(C)O
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Secondary alcohols
Np Classifier Superclass Fatty acyls

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  • 133. Outgoing r'ship FOUND_IN to/from Sassafras Officinalis (Plant) Rel Props:Reference:
  • 134. Outgoing r'ship FOUND_IN to/from Schenkia Spicata (Plant) Rel Props:Reference:
  • 135. Outgoing r'ship FOUND_IN to/from Schoenocaulon Officinale (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Scindapsus Officinalis (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Scutellaria Baicalensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643741
  • 138. Outgoing r'ship FOUND_IN to/from Sisymbrium Officinale (Plant) Rel Props:Reference:
  • 139. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
  • 141. Outgoing r'ship FOUND_IN to/from Symphytum Officinale (Plant) Rel Props:Reference:
  • 142. Outgoing r'ship FOUND_IN to/from Symplocos Spicata (Plant) Rel Props:Reference:
  • 143. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Reference:
  • 144. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112
  • 145. Outgoing r'ship FOUND_IN to/from Thymbra Spicata (Plant) Rel Props:Reference:
  • 146. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
  • 147. Outgoing r'ship FOUND_IN to/from Vaccinium Ashei (Plant) Rel Props:Reference:
  • 148. Outgoing r'ship FOUND_IN to/from Vaccinium Bracteatum (Plant) Rel Props:Reference:
  • 149. Outgoing r'ship FOUND_IN to/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all
  • 150. Outgoing r'ship FOUND_IN to/from Vaccinium Leschenaultii (Plant) Rel Props:Reference:
  • 151. Outgoing r'ship FOUND_IN to/from Vaccinium Macrocarpon (Plant) Rel Props:Reference:
  • 152. Outgoing r'ship FOUND_IN to/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all
  • 153. Outgoing r'ship FOUND_IN to/from Vaccinium Oxycoccos (Plant) Rel Props:Reference:
  • 154. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
  • 155. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:
  • 156. Outgoing r'ship FOUND_IN to/from Wagatea Spicata (Plant) Rel Props:Reference:
  • 157. Outgoing r'ship FOUND_IN to/from Zingiber Aromaticum (Plant) Rel Props:Reference:
  • 158. Outgoing r'ship FOUND_IN to/from Zingiber Capitatum (Plant) Rel Props:Reference:
  • 159. Outgoing r'ship FOUND_IN to/from Zingiber Cassumunar (Plant) Rel Props:Reference:
  • 160. Outgoing r'ship FOUND_IN to/from Zingiber Cernuum (Plant) Rel Props:Reference:
  • 161. Outgoing r'ship FOUND_IN to/from Zingiber Chrysanthum (Plant) Rel Props:Reference:
  • 162. Outgoing r'ship FOUND_IN to/from Zingiber Montanum (Plant) Rel Props:Reference:
  • 163. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 164. Outgoing r'ship FOUND_IN to/from Zingiber Purpureum (Plant) Rel Props:Reference:
  • 165. Outgoing r'ship FOUND_IN to/from Zingiber Roseum (Plant) Rel Props:Reference:
  • 166. Outgoing r'ship FOUND_IN to/from Zingiber Rubens (Plant) Rel Props:Reference:
  • 167. Outgoing r'ship FOUND_IN to/from Zingiber Spectabile (Plant) Rel Props:Reference:
  • 168. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:
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