cyclopropylmethanol

• ChemBase ID: 70978
• Molecular Formular: C4H8O
• Molecular Mass: 72.10572
• Monoisotopic Mass: 72.05751488
• SMILES: C(O)C1CC1
• Canonical SMILES: OCC1CC1
• InChI: InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2
• InChIKey: GUDMZGLFZNLYEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropylmethanol
• IUPAC Traditional name: cyclopropylmethanol
• Synonyms: Cyclopropylmethanol; Cyclopropyl carbinol; Cyclopropylmethanol; (Hydroxymethyl)cyclopropane; CPMO; (Hydroxymethyl)cyclopropane; Cyclopropanemethanol; 环丙烷甲醇; 环丙甲醇; 羟甲基环丙烷; 环丙基甲醇; 环丙烷甲醇

Database IDs

• CAS Number: 2516-33-8
• EC Number: 219-735-5
• MDL Number: MFCD00001309
• Beilstein Number: 1846846
• PubChem SID: 162036686; 24871809
• PubChem CID: 75644

CALCULATED PROPERTIES

• Acid pKa: 17.100975
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2620002
• LogD (pH = 7.4): 0.2620002
• Log P: 0.2620002
• Molar Refractivity: 20.2033 cm^3
• Polarizability: 7.9887843 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-60°C
• Boiling Point: 123-124 °C/738 mmHg(lit.); 123-124°C; 123-124°C
• Flash Point: 35 °C; 35°C; 35°C(95°F); 95 °F
• Density: 0.89; 0.89 g/mL at 25 °C(lit.); 0.904
• Refractive Index: 1.433; 1.4330; n20/D 1.431; n20/D 1.431(lit.)

Safety Information

• Storage Warning: Flammable/Harmful; IRRITANT
• RTECS: GZ2212250
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1987; UN1987
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/21/22-36-48/20/21/22; 10-22-36
• Safety Statements: 16-26-36; 26-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H319; H301-H311-H332-H319-H226-H373
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; 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 1987 3/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥99.5%; 95+%; 97%; 98%
• Grade: purum
• Linear Formula: C3H5CH2OH

DETAILS

Sigma Aldrich - 482099

Packaging
1 L in glass bottle
25, 250 mL in glass bottle

REFERENCES

• For conversion to cyclobutene by tert-butoxide-induced elimination from cyclobutyl tosylate, see: Org. Synth. Coll., 7, 117 (1990).