decan-1-ol

• ChemBase ID: 105925
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: CCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCO
• InChI: InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
• InChIKey: MWKFXSUHUHTGQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decan-1-ol
• IUPAC Traditional name: decanol
• Synonyms: decyl alcohol; n-decyl alcohol; capric alcohol; epal 10; antak; agent 504; 1-Decanol; 1-Decanol; n-DECYL ALCOHOL; n-Decyl alcohol; Alcohol C10; 1-Decanol; 1-癸醇 98+%; C10 醇; 正癸醇; 1-癸醇

Database IDs

• CAS Number: 112-30-1
• EC Number: 203-956-9
• MDL Number: MFCD00004747
• Beilstein Number: 1735221
• Merck Index: 142855
• PubChem SID: 24858475; 24854391; 24849047; 162092624; 24867896; 24901021
• PubChem CID: 8174
• CHEBI ID: 28903
• CHEMBL: 25363
• Chemspider ID: 7882
• FEMA ID: 2365
• KEGG ID: C01633
• Unique Ingredient Identifier: 89V4LX791F
• Wikipedia Title: 1-Decanol
• Council of Europe Number: 73
• Flavis Number: 2.024

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.472734
• LogD (pH = 7.4): 3.472734
• Log P: 3.472734
• Molar Refractivity: 49.7409 cm^3
• Polarizability: 19.78336 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water; Soluble in alcohol, ether. Insoluble in water
• Apperance: Viscous liquid
• Melting Point: 5-7 °C(lit.); 6.4°C; 6°C; 7 °C
• Boiling Point: 229 °C at 1013 hPa; 230-232°C; 231 °C(lit.); 232.9°C
• Flash Point: 108 °C; 179.6 °F; 82 °C; 82°C(179°F); ca. 110 °C (open cup)
• Auto Ignition Point: 288 °C (550 °F); 550 °F
• Density: .8297 g/cm^3 at 20 °C; 0.828; 0.829 g/mL at 25 °C(lit.); 0.8297 g/cm3
• Refractive Index: 1.4370; n20/D 1.437; n20/D 1.437(lit.)
• Vapor Pressure: 1 mmHg ( 70 °C); 1.33 hPa at 69.5 °C; 8.25 mmHg ( 100 °C)
• Vapor Density: 4.5 (vs air); 5.46 (air = 1)
• Organoleptic: fruity; fatty; waxy; rose

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: HE4375000
• European Hazard Symbols: Nature polluting (N); X; Irritant (Xi); Harmful (Xn)
• UN Number: 3082; UN3082
• German water hazard class: 1
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 20-36/37/38-51/53; 20-36/38-51/53; 36; R:36/37/38
• Safety Statements: 26; 26-36/37-61; 26-60; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H315-H319-H331-H335-H411; H319; H319-H331-H411; H319-H411; H332-H315-H319-H227-H303-H313-H401-H411
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P311; P273-P305 + P351 + P338; P280H-P273-P305+P351+P338; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95.0% (GC); ≥98%; ≥98.0%; ≥98.0% (GC); ≥99%; ≥99.5% (GC); 98+%; 99%
• Grade: analytical standard; Halal; Kosher; NI; puriss.; purum; Selectophore™
• Packaging: ampule of 1000 mg
• Linear Formula: CH3(CH2)9OH

DETAILS

MP Biomedicals - 02195124

Purity: 99%
1 ml = approx. 0.83 g

Sigma Aldrich - W236500

Packaging
1 kg in poly bottle
1 sample in glass bottle
8, 20 kg in poly drum

Sigma Aldrich - 239763

Packaging
50 g in poly bottle

Sigma Aldrich - 150584

Packaging
3 kg in poly bottle
500 g in poly bottle

Sigma Aldrich - 30608

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH