octan-1-ol

• ChemBase ID: 88137
• Molecular Formular: C8H18O
• Molecular Mass: 130.22792
• Monoisotopic Mass: 130.1357652
• SMILES: OCCCCCCCC
• Canonical SMILES: CCCCCCCCO
• InChI: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
• InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octan-1-ol
• IUPAC Traditional name: octanol
• Synonyms: Alcohol C8; 1-Octanol; 1-Octanol; Octyl alcohol; Octanol; 1-OCTANOL, ACS GRADE; Capryl alcohol; n-Octyl alcohol; 1-OCTANOL; 1-Hydroxyoctane; Octan-1-ol 99%; 1--辛醇; C8 醇; 正辛醇; 辛醇; 1-辛醇

Database IDs

• CAS Number: 111-87-5
• EC Number: 203-917-6
• MDL Number: MFCD00002988
• Beilstein Number: 1697461
• Merck Index: 146751
• PubChem SID: 24857646; 24890156; 162075169; 24857945; 24901179; 24870797; 24901178; 24862171; 24867772; 24847103
• PubChem CID: 957
• CHEMBL: 26215
• Chemspider ID: 932
• FEMA ID: 2800
• Wikipedia Title: Octanol
• Council of Europe Number: 54c; 54
• Flavis Number: 2.006

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5835967
• LogD (pH = 7.4): 2.5835967
• Log P: 2.5835967
• Molar Refractivity: 40.5389 cm^3
• Polarizability: 16.091919 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: APHA: ≤10; clear; liquid
• Melting Point: -15 °C(lit.); -16°C; -16°C; -18 °C
• Boiling Point: 193-195°C; 193-195°C; 194.5 °C; 195°C; 196 °C(lit.)
• Flash Point: 176 °F; 80 °C; 81°C; 81°C(177°F); ca. 90 °C (closed cup)
• Auto Ignition Point: 523 °F
• Density: .827 g/cm^3 at 20 °C; 0.824 g/cm^3; 0.825; 0.827 g/mL at 25 °C(lit.)
• Refractive Index: 1.4290; n20/D 1.429; n20/D 1.429(lit.)
• Vapor Pressure: .031 hPa at 20 °C; 0.14 mmHg ( 25 °C)
• Vapor Density: 4.5 (air = 1); 4.5 (vs air)
• Absorption Wavelength: λ: 215 nm Amax: 1.00; λ: 220 nm Amax: 1.0; λ: 220 nm Amax: 1.00; λ: 225 nm Amax: 0.50; λ: 230 nm Amax: 0.50; λ: 235 nm Amax: 0.20; λ: 240 nm Amax: 0.10; λ: 250 nm Amax: 0.05; λ: 260 nm Amax: 0.05; λ: 280 nm Amax: 0.01; λ: 280-400 nm Amax: 0.01; λ: 300-400 nm Amax: 0.01
• Organoleptic: orange; floral; woody; citrus; fatty; waxy

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Harmful/Irritant
• RTECS: RH6550000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36; 36/38; R:36/37/38
• Safety Statements: 23-26; 26-36/37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319-H227; H315-H319
• GHS Precautionary statements: P261-P305+P351+P338; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Gene Information: mouse ... Chrna1(11435)
• Allergens: no known allergens

Product Information

• Purity: ~99%; ≥75.0%; ≥96.0% (GC); ≥98%; ≥98.0%; ≥99%; ≥99.5%; ≥99.5% (GC); ≥99.7% (GC); 99%
• Grade: ACS; ACS reagent; ACS spectrophotometric grade; analytical standard; anhydrous; CHROMASOLV®; FG; for HPLC; for UV-spectroscopy; Halal; JIS special grade; Kosher; natural; NI; puriss.; purum; ReagentPlus®; SAJ first grade
• Packaging: ampule of 1000 mg
• Evaporation Residue: <0.004%; ≤0.004%
• Impurities: <0.003% water; <0.005% water(100 mL pkg); <0.010% water; ≤0.0002 meq/g free acid; ≤0.0002 meq/g Titr. acid; ≤0.01% non-volatile matter; ≤0.5% 3-octanol
• Shelf Life: (limited shelf life, expiry date on the label)
• λ: H2O reference; neat, H2O reference
• Linear Formula: CH3(CH2)7OH

DETAILS

MP Biomedicals - 02155969

(Capryl alcohol; n-Octyl alcohol) Purity: 99% 1 ml = approx. 0.83 g

Sigma Aldrich - O4500

Biochem/physiol Actions
阻断 T 型 Ca2+ 通道

Sigma Aldrich - W280011

Biochem/physiol Actions
Blocks T-type Ca2+ channels
Packaging
1 kg in poly bottle
1 sample in glass bottle
4, 8 kg in poly drum

Sigma Aldrich - 74848

Biochem/physiol Actions
Blocks T-type Ca2+ channels

Sigma Aldrich - 472328

Biochem/physiol Actions
Blocks T-type Ca2+ channels
Packaging
1, 2.5, 4 L in glass bottle
100 mL in glass bottle

Sigma Aldrich - W280003

Biochem/physiol Actions
Blocks T-type Ca2+ channels
Packaging
1 kg in poly bottle
1 sample in glass bottle
4, 8, 20 kg in poly drum

Sigma Aldrich - 360562

Biochem/physiol Actions
Blocks T-type Ca2+ channels
Packaging
1, 2 L in glass bottle

Sigma Aldrich - 112615

Biochem/physiol Actions
Blocks T-type Ca2+ channels
Packaging
1, 4 L in glass bottle
20 L in steel drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 23-0130

Biochem/physiol Actions
Blocks T-type Ca2+ channels

Sigma Aldrich - 23-0135

Biochem/physiol Actions
Blocks T-type Ca2+ channels
Suitability
determination of distribution coefficient

Sigma Aldrich - 74852

Biochem/physiol Actions
Blocks T-type Ca2+ channels

Sigma Aldrich - 293245

Biochem/physiol Actions
Blocks T-type Ca2+ channels
Packaging
1, 2 L in glass bottle
100 mL in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 95446

Biochem/physiol Actions
Blocks T-type Ca2+ channels

Sigma Aldrich - 74850

Biochem/physiol Actions
Blocks T-type Ca2+ channels

Sigma Aldrich - 297887

Biochem/physiol Actions
Blocks T-type Ca2+ channels
Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 24134

Biochem/physiol Actions
Blocks T-type Ca2+ channels

Sigma Aldrich - 23-0120

Biochem/physiol Actions
Blocks T-type Ca2+ channels

Sigma Aldrich - 442273

Biochem/physiol Actions
Blocks T-type Ca2+ channels