C86006

Crotyl alcohol, mixture of cis and trans

96%

• Synonym(s): 2-Buten-1-ol
• Linear Formula: CH₃CH=CHCH₂OH
• CAS Number: 6117-91-5
• Molecular Weight: 72.11
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24893079
• EC Number: 228-086-7
• Beilstein/REAXYS Number: 1361395
• MDL number: MFCD00002923
• Assay: 96%
• Form: liquid

Properties

• Quality Segment: 200
• assay: 96%
• form: liquid
• refractive index: n20/D 1.427 (lit.)
• bp: 121-122 °C (lit.)
• density: 0.845 g/mL at 25 °C (lit.)
• SMILES string: C\C=C\CO
• InChI: 1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
• InChI key: WCASXYBKJHWFMY-NSCUHMNNSA-N

Description

Application

Crotyl alcohol can be used as a starting material in the synthesis of antitumor agents such as 14-azacamptothecin and 10, 11-methylenedioxy-14-azacamptothecin. It can also be used as a precursor in the total synthesis of discodermolide.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302 + H312
• pcodes: P210 - P233 - P240 - P280 - P301 + P312 - P303 + P361 + P353
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk: WGK 3
• flash_point_f: 93.2 °F - closed cup
• flash_point_c: 34 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter