Decan-2-ol

2-Decanol

HCID 14254CAS 1120-06-5

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Grundinformationen

Standard-SMILES: CCCCCCCCC(C)O
InChIKey: ACUZDYFTRHEKOS-UHFFFAOYSA-N
Summenformel: C10H22O
Durchschnittliche Molmasse: 158,28 g/mol
Monoisotopische Masse: 158,16706532

Überblick

Decan-2-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 2. It has a role as a nematicide, an animal metabolite and a bacterial metabolite. It is a decanol and a secondary alcohol.

Namen und Bezeichner

Bevorzugter Name: 2-Decanol
IUPAC: decan-2-ol
Lokaler Name: Decan-2-ol
Englischer Name: 2-DECANOL
Summenformel: C10H22O
Molmasse: 158.28

Namen und Synonyme

2-DECANOLDecan-2-olDecanol-2Methyl-n-octyl carbinolSLY85BY3SSMethyl octyl carbinolNSC-67349DTXSID908625532HydroxydecaneDecan2olRefChem:86658(+-)-2-DECANOL

Weitere Namen anzeigen

ecan-2-olAI3-11545NSC 673492-decylol2-DECANOL 98%2-Decanol,98%

DTXCID808112972-DECANOL, (+-)-ACUZDYFTRHEKOS-UHFFFAOYSA-N1120-06-52-Hydroxydecane2-Decyl AlcoholMethyl-n-octylcarbinolMFCD00004594

Datenbank-Bezeichner

CAS: 1120-06-5
PubChem CID: 14254
DTXSID: DTXSID90862553
ChEMBL: CHEMBL46477
ChEBI: CHEBI:195600
UNII: SLY85BY3SS
EC Number: 214-296-6
Nikkaji: J80.157G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 7
Schwere Atome: 11
Formalladung: 0
Komplexität: 71,3

Experimentelle und physikochemische Eigenschaften

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear colorless liquid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -6 · -6--4 °C (lit.)
Siedepunkt: 211 °C · 211 °C (lit.)
Dichte: 0.827 g/mL · 0.827 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.434(lit.)
Flammpunkt: 185 °F · 185 °F
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Liquid
pka: 15.29 · 15.29±0.20(Predicted)
Farbe: Clear colorless
Wasserlöslichkeit: Not miscible in water.
BRN: 1719664 · 1719664
Henry's Law Constant: 5.4 · 5.4×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997)
InChI: 1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
InChIKey: ACUZDYFTRHEKOS-UHFFFAOYSA-N
SMILES: CCCCCCCCC(C)O
LogP: 3.74 · 3.740 (est)
CAS Datenbank: 1120 · 1120-06-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Not Classified

Gefahrenhinweise

Hazards SummaryA skin, respiratory tract, and strong eye irritant; [Aldrich MSDS] See 1-Decanol.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk: 3
ridadr: UN 3082 9/PG 3
hs_code: 29051900
risk_code: 36-51/53-15-10
hazard_code: Xi,N,Xn,F
safety_code: 26-61-43-7/8
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Decanol is used to develop a miniature catalytic reactor for the oxidation of alcohols with O2 in supercritical CO2. It was used to study the substrate spectrum of phytanoyl-CoA hydroxylase with regard to the length of both the acyl chain and the branch at position.