(2Z)-pent-2-en-1-ol

• ChemBase ID: 135423
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: C(=C\CO)\CC
• Canonical SMILES: CC/C=C\CO
• InChI: InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-
• InChIKey: BTSIZIIPFNVMHF-ARJAWSKDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-pent-2-en-1-ol
• IUPAC Traditional name: (2Z)-pent-2-en-1-ol
• Synonyms: cis-2-Penten-1-ol; 顺-2-戊烯-1-醇

Database IDs

• CAS Number: 1576-95-0
• EC Number: 216-415-7
• MDL Number: MFCD00063208
• Beilstein Number: 1719473
• PubChem SID: 24858351; 162229697; 24901918
• PubChem CID: 5364919
• FEMA ID: 4305

CALCULATED PROPERTIES

• Acid pKa: 16.08148
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0438764
• LogD (pH = 7.4): 1.0438764
• Log P: 1.0438764
• Molar Refractivity: 27.6985 cm^3
• Polarizability: 10.3193655 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 138 °C(lit.); 138°C
• Flash Point: 118.4 °F; 48 °C; 48°C(118°F)
• Density: 0.853; 0.853 g/mL at 25 °C(lit.)
• Refractive Index: 1.4360; n20/D 1.437(lit.)
• Vapor Density: >1 (vs air)

Safety Information

• UN Number: 1987; UN1987
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10
• Safety Statements: 16; 7-33-43-60
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• 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

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥96%; 95%; 97%, remainder mainly trans-isomer
• Grade: Kosher
• Contains: 0.10% alpha tocopherols; 0.10% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: C2H5CH=CHCH2OH

DETAILS

Sigma Aldrich - W430500

Packaging
1 kg in poly bottle
1 sample in glass bottle
100 g in poly bottle

Sigma Aldrich - 304182

Packaging
5 g in glass bottle