propan-2-ol

• ChemBase ID: 105765
• Molecular Formular: C3H8O
• Molecular Mass: 60.09502
• Monoisotopic Mass: 60.05751488
• SMILES: CC(C)O
• Canonical SMILES: CC(O)C
• InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
• InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-ol
• IUPAC Traditional name: isopropyl alcohol
• Synonyms: 2-Propanol, Spectrophotometric Grade; 2-Propanol, ACS; 2-Propanol, Semiconductor Grade; 2-Propanol, HPLC Grade; 2-Propanol, anhydrous; 2-Propanol, GC Grade; Isopropanol; 2-Propanol; ISOPROPYL ALCOHOL; ISOPROPYL ALCOHOL ACS REAGENT GRADE; ISOPROPYL ALCOHOL, U.S.P.; ISOPROPYL ALCOHOL, ANHYDROSOLV GRADE; ISOPROPYL ALCOHOL, HISTOLOGICAL GRADE; ISOPROPYL ALCOHOL, HPLC/SPECTRO GRADE; ISOPROPYL ALCOHOL, ABSOLV GRADE; isopropyl alcohol; rubbing alcohol; iPrOH; Isopropyl alcohol; IPA; 2-Propanol; 2-Propanol solution; 2-Propanol/Water 50/50 (v/v); Water/2-Propanol 50/50 (v/v); Rinsing Solution I; sec-Propyl alcohol; 2-丙醇, 光谱级; 2-丙醇, ACS; 2-丙醇,半导体级; 2-丙醇, HPLC级; 2-丙醇, 无水; 2-丙醇, GC级; 仲丙醇; 异丙基醇; 异丙醇; 异丙醇; 2-丙醇; 异丙基醇; 2-丙醇; 2-丙醇 溶液; 2-丙醇/水 50/50 (v/v); 水/2-丙醇 50/50 (v/v); LC-MS CHROMASOLV® 冲洗液 I

Database IDs

• CAS Number: 67-63-0
• EC Number: 200-661-7
• MDL Number: MFCD00011674
• Beilstein Number: 635639
• Merck Index: 145208
• PubChem SID: 24901402; 24861688; 24849320; 24878010; 24885177; 24861694; 24880141; 24885280; 24867380; 24851459; 24867817; 24861595; 24896163; 24856817; 24883753; 24865059; 24881325; 24865193; 24860314; 24896158; 24865170; 24846940; 24889461; 24865120; 24896150; 24867489; 162094209; 24854479; 24865153; 24881329
• PubChem CID: 3776
• CHEBI ID: 17824
• ATC CODE: D08AX05
• CHEMBL: 582
• Chemspider ID: 3644
• FEMA ID: 2929
• KEGG ID: D00137
• Unique Ingredient Identifier: ND2M416302
• Wikipedia Title: Isopropyl_alcohol
• Council of Europe Number: 4146
• Flavis Number: 2.079

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 17.4287 cm^3
• Polarizability: 6.874204 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: passes test; miscible in benzene, chloroform, ethanol, ether, glycerin ; soluble in acetone ; insoluble in salt solutions; miscible in water; Miscible with water, alcohol, ether, chloroform
• Apperance: APHA: ≤10; Colorless liquid; Liquid
• Melting Point: -89°C; -89.5 °C(lit.); -90 °C; -90°C
• Boiling Point: 80.9-83.2 °C; 82 °C(lit.); 82.5°C; 82-83°C; ca. 82 - 83 °C at 1012 hPa
• Flash Point: 11.7 °C (closed cup); 12 °C; 12°C(53°F); 22 °C; 53.6 °F; 71.6 °F
• Auto Ignition Point: 399 °C; 425 °C; 750 °F
• Density: .784 - .786 g/cm^3 at 20 °C; 0.785; 0.785 g/mL at 20 °C; 0.785 g/mL at 25 °C(lit.); 0.786 g/cm^3 (20 °C); 0.858 g/mL at 25 °C
• Refractive Index: 1.3770; 1.3776; n20/D 1.377; n20/D 1.377(lit.); n20/D 1.3770-1.3780; n20/D 1.377-1.378; n20/D 1.378
• Vapor Pressure: 33 mmHg ( 20 °C); 42 hPa at 20 °C; 44 mmHg ( 25 °C)
• Vapor Density: 2.07 (air = 1); 2.1 (vs air)
• Absorption Wavelength: λ: 205 nm Amax: ≤1.0; λ: 205 nm Amax: 1.0; λ: 205 nm Amax: 1.00; λ: 210 nm Amax: ≤0.70; λ: 210 nm Amax: 1.00; λ: 220 nm Amax: ≤0.20; λ: 220 nm Amax: 0.3; λ: 220 nm Amax: 0.30; λ: 220 nm Amax: 0.4; λ: 220 nm Amax: 0.40; λ: 230 nm Amax: ≤0.10; λ: 230 nm Amax: 0.10; λ: 230 nm Amax: 0.12; λ: 230 nm Amax: 0.15; λ: 230 nm Amax: 0.20; λ: 240 nm Amax: 0.05; λ: 245 nm Amax: ≤1.0; λ: 245 nm Amax: 0.05; λ: 245 nm Amax: 0.08; λ: 250 nm Amax: ≤0.30; λ: 250 nm Amax: 0.01; λ: 250 nm Amax: 0.02; λ: 260 nm Amax: ≤0.01; λ: 260 nm Amax: 0.02; λ: 260 nm Amax: 0.03; λ: 260 nm Amax: 0.04; λ: 275 nm Amax: ≤0.005; λ: 275-400 nm Amax: ≤0.005; λ: 280 nm Amax: 0.004; λ: 280 nm Amax: 0.01; λ: 300-400 nm Amax: 0.01; λ: 330-400 nm Amax: 0.01; λ: 400 nm Amax: ≤0.005; λ: 400 nm Amax: ≤0.01
• pKa: 16.5
• Dipole Moment: 1.66 D (gas)
• Viscosity: 2.86 cP at 15 °C; 1.96 cP at 25 °C; 1.77 cP at 30 °C; For 187K-500K, viscosity (cP) =10^(-0.7009+(8.4150E+02/T)+(-8.6068E-03*T)+(8.2964E-06*(T^2))) (Temp in K)
• Organoleptic: butter
• Transmittance: 210 nm, ≥20%; 210 nm, ≥80%; 220 nm, ≥50%; 220 nm, ≥65%; 230 nm, ≥75%; 230 nm, ≥80%; 230 nm, ≥90%; 254 nm, ≥98%; 260 nm, ≥98%

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: NT8050000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1219; UN1219
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Australian Hazchem: 2YE
• Risk Statements: 10-36-67; 11-36-67; R:11-36-67; R11 R36 R67
• Safety Statements: 26; 7-16-24/25-26; S:7-16-26-24/25; S7 S16 S24 S25 S26
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 129
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS02; GHS07
• GHS Signal Word: Danger; Danger
• Main Hazard: Flammable
• NFPA704:
  

  3

  2

  1
• LD50: 3600 mg/kg (oral, mouse), 12800 mg/kg (dermal, rabbit), LC₅₀ = 53000 mg/m^3 (inhalation, mouse)
• Explode Limits: 2 %
• GHS Hazard statements: 225, 319, 336; H225-H319-H336
• GHS Precautionary statements: 210, 261, 305+351+338; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-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 1219 3/PG 2
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.7%; ≥99.8% (GC); ≥99.9%; ≥99.9% (GC); 55-57 wt. % water basis (Karl Fischer); 99%; 99.5%; 99.5% min; 99.5+%; 99.7+%; 99.9%; 99.999% trace metals basis; 99+%
• Concentration: 70% in H2O
• Grade: absolute; ACS; ACS reagent; ACS spectrophotometric grade; analytical standard; anhydrous; CHROMASOLV®; CHROMASOLV® (rinsing agent for LC-MS); CHROMASOLV® Plus; electronic grade; for HPLC; for HPLC, gradient grade; for luminescence; for molecular biology; for residue analysis; for UV-spectroscopy; Halal; histological grade; HPLC; HPLC grade; JIS special grade; Kosher; Laboratory Reagent; LC-MS CHROMASOLV®; NI; PRA grade; puriss.; puriss. p.a.; purum; REAGENT; SAJ first grade; semiconductor grade MOS PURANAL™ (Honeywell 17930); semiconductor grade PURANAL™ (Honeywell 17829); semiconductor grade SLSI PURANAL™ (Honeywell 17030); semiconductor grade ULSI PURANAL™ (Honeywell 17022); semiconductor grade VLSI PURANAL™ (Honeywell 17604); USP
• Packaging: ampule of 1000 mg; packaged under Argon in resealable ChemSeal? bottles
• Suitability: complies for appearance of solution; complies for identity; in accordance for luminescence; in accordance for suitability for LC-MS; meets EP, BP, USP testing specifications; meets USP testing specifications; passes test for identity (GC) (2-Propanol); passes test for suitability for LC-MS; suitable for 1000 per JIS; suitable for absorption spectrum analysis; suitable for precipitation of nucleic acids
• Evaporation Residue: <0.0002%; <0.0003%; <0.001%; ≤0.0001%; ≤0.001%; ≤0.003%
• Impurities: <0.003% water; <0.005% water(100 mL pkg); <0.050% water; ≤0.0001 meq/g Titr. acid or base; ≤0.0001 meq/g Titratable acid or base; ≤0.0001% benzene; ≤0.00017% free alkali (as NH3); ≤0.0002% heavy metals (as Pb); ≤0.00034% peroxides (as H2O2); ≤0.0005% free alkali (as NH3); ≤0.0005% KMnO4 red. matter (as O); ≤0.0005% non-volatile matter; ≤0.00074% free acid (as C2H5COOH); ≤0.001% free acid; ≤0.001% free acid (as C2H5COOH); ≤0.001% free acid (as C6H5COOH); ≤0.001% non volatile matter; ≤0.001% non-volatile matter; ≤0.002% aldehyde (as C2H5CHO); ≤0.002% carbonyl compounds (as acetone); ≤0.002% carbonyl compounds (as propionaldehyde or acetone); ≤0.002% carbonyl compounds (as propionaldehyde); ≤0.002% carbonyl compounds (propionaldehyde or acetone); ≤0.002% Carbonyl compounds(each of propionaldehyde or acetone.); ≤0.002% free acid (as C2H5COOH); ≤0.002% ketone (as CH3COCH3); ≤0.002% non-volatile matter; ≤0.005% free acid (as C2H5COOH); ≤0.01% ethanol (GC); ≤0.02% Water; ≤0.02% water; ≤0.05% aldehydes and ketones (as CH3COCH3); ≤0.05% water; ≤0.05% water (Karl Fischer); ≤0.1% methanol (GC); ≤0.1% organic impurities (GC, area); ≤0.1% water; ≤0.1% water (Karl Fischer); ≤0.2% water; ≤0.2% Water (H2O); ≤0.2% water (Karl Fischer); ≤0.5 ppb Fluorescence (quinine)(365 nm); ≤0.5% water; ≤1 ppb fluorescence (quinine) 254 nm; ≤1 ppb fluorescence (quinine) 365 nm; ≤1 ppb fluorescence (quinine) at 254 nm; ≤1 ppb fluorescence (quinine) at 365 nm; ≤1 ppb quinine fluor., 254 nm; ≤1 ppb quinine fluor., 365 nm; ≤5 ng/L suitability for residue analysis; acidity or alkalinity, complies; aldehyde, in accordance; benzene and related subst., complies; DNases, none detected; insoluble matter, passes filter test; peroxides, complies; phosphatases, none detected; proteases, none detected; residual solvents, complies; RNases, none detected; substances darkened by H2SO4, in accordance
• Cation Traces: Ag: ≤0.1 mg/kg; Al: ≤0.5 mg/kg; B: ≤0.01 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; Fe: ≤1 mg/kg; K: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Na: ≤1 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: glass distillation
• Quality Level: PREMIUM
• Quality: for pesticide residue analysis; meets analytical specification of Ph. Eur., BP, USP; over molecular sieve (H2O ≤0.005%)
• λ: 1 cm path, H2O reference; H2O reference; neat
• Halogenated residue (GC/ECD): <4 μg/L (as heptachlor epoxide); ≤10 ng/L (as heptachlor epoxide)
• Product Line: BioUltra
• abs.: /235 nm <2.5 mAU; /254 nm <2 mAU; absorption/ in accordance; HPLC-gradient/235 nm ≤2 mAU; HPLC-gradient/254 nm ≤2 mAU; HPLC-gradient/254 nm ≤5 mAU
• Pharmacopeia Traceability: traceable to USP 1570428
• Linear Formula: (CH3)2CHOH

DETAILS

MP Biomedicals - 02194007

ACS Reagent Grade
Purity: >99%

MP Biomedicals - 02194006

Molecular Biology Reagent
Purity: 99+%
Ideal for precipitating nucleic acids. In comparison to ethanol, approximately half the amount is required for precipitation which minimizes the total volume for recovery.

Sigma Aldrich - 40314

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PURANAL is a trademark of Honeywell Specialty Chemicals Seelze GmbH

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1 L in glass bottle
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Suitable for pesticide residue analysis
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Isopropanol precipitation of DNA1

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High purity solvents for use in electrical applications and in the synthesis of high-purity materials.
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When compared to ethanol, 50% less is required for nucleic acid precipitation, thus minimizing the total volume to be centrifuged for DNA or RNA recovery.
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25, 500 mL in glass bottle

Sigma Aldrich - W292907

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1 kg in poly bottle
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8, 20 kg in comp drum

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Suitable for HPLC, spectrophotometry, environmental testing
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Product filtered through a 0.2 μm filter
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1, 6×1, 2, 2.5, 4×2.5, 72×2.5, 4, 4×4 L in glass bottle
7, 45 L in ss drum
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100 mL in glass bottle
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1, 6×1, 2 L in Sure/Seal™
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100, 12×100 mL in Sure/Seal™
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