Record Information
Version1.0
Creation date2010-04-08 22:12:39 UTC
Update date2015-07-20 23:32:40 UTC
Primary IDFDB016802
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePoly(vinyl alcohol)
DescriptionDiluent 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.
CAS Number9002-89-5
Structure
Thumb
Synonyms
SynonymSource
1-Methyl-1-propanolChEBI
1-Methylpropyl alcoholChEBI
2-Butyl alcoholChEBI
2-HydroxybutaneChEBI
Butanol-2ChEBI
MethylethylcarbinolChEBI
S-Butyl alcoholChEBI
S-ButylalkoholChEBI
Sec-butanolChEBI
Sec-butyl alcoholChEBI
2-Butanol, (+)-isomerHMDB
2-Butanol, (-)-isomerHMDB
2-Butanol, lithium salt, (S)-isomerHMDB
2-Butanol, aluminum saltHMDB
2-Butanol, lithium salt, (R)-isomerHMDB
2-Butanol, (+-)-isomerHMDB
2-Butanol, lithium salt, (+-)-isomerHMDB
2-ButanolChEBI
Airvol 125biospider
Airvol 165biospider
Airvol MH-82, MM-14, MM-51, MM-81biospider
Airvol SH-72, SM-73biospider
Alcotex 17F-Hbiospider
Alcotex 88/05biospider
Alcotex 88/10biospider
Alcotex 99/10biospider
Alkenolsbiospider
Alkotexbiospider
Alvylbiospider
Aracet apvbiospider
CH2=CHOHbiospider
Cipoviol W 72biospider
Covolbiospider
Covol 971biospider
Elvanolbiospider
Elvanol 20-25biospider
Elvanol 50-42biospider
Elvanol 51-05Gbiospider
Elvanol 5105biospider
Elvanol 52-22biospider
Elvanol 52-22Gbiospider
Elvanol 522-22biospider
Elvanol 70-05biospider
Elvanol 71-30biospider
Elvanol 90-50biospider
Elvanol T 25biospider
Enbra ovbiospider
ENOLbiospider
Enol etherbiospider
Enol ethersbiospider
Enolsbiospider
Ethenolbiospider
Ethenol homopolymer, 9CIdb_source
Ethenol, homopolymerbiospider
Galvatol 1-60biospider
Gelvatolbiospider
Gelvatol 1-30biospider
Gelvatol 1-60biospider
Gelvatol 1-90biospider
Gelvatol 20-30biospider
Gelvatol 2060biospider
Gelvatol 2090biospider
Gelvatol 3-91biospider
GLO 5biospider
Gohsenolbiospider
Gohsenol AH 22biospider
Gohsenol GHbiospider
Gohsenol GH 17biospider
Gohsenol GH 20biospider
Gohsenol GH 23biospider
Gohsenol GL 03biospider
Gohsenol GL 05biospider
Gohsenol GL 08biospider
Gohsenol GM 14biospider
Gohsenol GM 14Lbiospider
Gohsenol GM 94biospider
Gohsenol KH 17biospider
Gohsenol N 300biospider
Gohsenol NH 05biospider
Gohsenol NH 17biospider
Gohsenol NH 18biospider
Gohsenol NH 20biospider
Gohsenol NH 26biospider
Gohsenol nk 114biospider
Gohsenol NL 05biospider
Gohsenol NL05biospider
Gohsenol NM 114biospider
Gohsenol NM 14biospider
Gosenol KH-17biospider
Gtohsenol GL 05biospider
Hydroxyethenebiospider
Hydroxyethylenebiospider
Kuralon VPbiospider
Kurare 217biospider
Kurare Poval 120biospider
Kurare Poval 1700biospider
Kurare PVA 205biospider
Kurate poval 120biospider
Lamephil ojbiospider
Lemolbiospider
Lemol 5-88biospider
Lemol 5-98biospider
Lemol GF-60biospider
Mowiolbiospider
Mowiol 26-88biospider
Mowiol 4-88biospider
Mowiol N 30-88biospider
Mowiol N 50-98biospider
Mowiol N 50/88biospider
Mowiol N 70-98biospider
Poly(1-hydroxyethylene)biospider
Polydesisbiospider
Polysizer 173biospider
Polyvinolbiospider
Polyvinyl alcoholbiospider
Polyvinyl alcohol, fully hydrolyzedbiospider
Polyvinyl alcohol, super hydrolyzedbiospider
Polyvinyl alcohol, tackifiedbiospider
Polyviolbiospider
Polyviol M 13/140biospider
Polyviol MO 5/140biospider
Polyviol W 25/140biospider
Polyviol W 28/20biospider
Polyviol W 40/140biospider
Povalbiospider
Poval 117biospider
Poval 120biospider
Poval 203biospider
Poval 205biospider
Poval 205Sbiospider
Poval 217biospider
Poval 217Sbiospider
Poval 420biospider
Poval C 17biospider
PVAdb_source
Pva (van)biospider
PVALbiospider
PVS 4biospider
Release agent nl-2biospider
Resistoflexbiospider
Rhodoviolbiospider
Rhodoviol 16/200biospider
Rhodoviol 4-125Pbiospider
Rhodoviol 4/125biospider
Rhodoviol R 16/20biospider
Sloviol rbiospider
Solvarbiospider
Sumitex H 10biospider
Vibatex sbiospider
Vinacol MHbiospider
Vinalakbiospider
Vinarolbiospider
Vinarol DTbiospider
Vinarol STbiospider
Vinarolebiospider
Vinavilol 2-98biospider
Vinnarolbiospider
Vinolbiospider
Vinol 125biospider
Vinol 205biospider
Vinol 351biospider
Vinol 523biospider
Vinol unisizebiospider
Vinyl alcoholbiospider
Vinyl alcohol polymerbiospider
Vinyl alcohol, polymersbiospider
Vinylon Film 2000biospider
Vinylon Film 3000biospider
Vinylon Film VF-A 2500biospider
Warcopolymer A 20biospider
Predicted Properties
PropertyValueSource
Water Solubility195 g/LALOGPS
logP0.66ALOGPS
logP0.78ChemAxon
logS0.42ALOGPS
pKa (Strongest Acidic)17.69ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity21.95 m³·mol⁻¹ChemAxon
Polarizability9.07 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC4H10O
IUPAC namebutan-2-ol
InChI IdentifierInChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChI KeyBTANRVKWQNVYAZ-UHFFFAOYSA-N
Isomeric SMILESCCC(C)O
Average Molecular Weight74.1216
Monoisotopic Molecular Weight74.073164942
Classification
Description belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentSecondary alcohols
Alternative Parents
Substituents
  • Secondary alcohol
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point230°C
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0002-9000000000-69a1867b969261fbdf06View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0002-9000000000-ccad0f1d1aa3a22b166dView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0002-9000000000-ef7cd62aa636fe20c0ebView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0002-9000000000-69a1867b969261fbdf06View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0002-9000000000-ccad0f1d1aa3a22b166dView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0002-9000000000-ef7cd62aa636fe20c0ebView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-056r-9000000000-88d60fe7c83e55440455View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-00wi-9300000000-cb203a619c04be21a120View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-9000000000-4e78283c55f36c9feda2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9000000000-c325f8fdffc2a59e1d10View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-18f52ab5703ab9a7a1b0View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-9000000000-de5df4899287d1e83d60View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-05fr-9000000000-920e6cee03b9b4c5fb07View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9000000000-fab3878f8110affe65c2View in MoNA
MSMass Spectrum (Electron Ionization)splash10-0002-9000000000-771b68c9e84f9101ec6dView in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC00980
Pubchem Compound ID11199
Pubchem Substance IDNot Available
ChEBI ID17246
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKTH10-S:KTH10-S
EAFUS ID3100
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1276741
SuperScent IDNot Available
Wikipedia IDPoly(vinyl_alcohol)
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference