non-1-yne

• ChemBase ID: 109905
• Molecular Formular: C9H16
• Molecular Mass: 124.22334
• Monoisotopic Mass: 124.12520051
• SMILES: CCCCCCCC#C
• Canonical SMILES: CCCCCCCC#C
• InChI: InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3
• InChIKey: OSSQSXOTMIGBCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-1-yne
• IUPAC Traditional name: 1-nonyne
• Synonyms: 1-NONYNE; 1-Nonyne; n-Heptylacetylene; 1-壬炔

Database IDs

• CAS Number: 3452-09-3
• EC Number: 222-375-1
• MDL Number: MFCD00009567
• Beilstein Number: 1736573
• PubChem SID: 162095688; 24855336
• PubChem CID: 18937

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.657689
• LogD (pH = 7.4): 3.657689
• Log P: 3.657689
• Molar Refractivity: 41.6728 cm^3
• Polarizability: 16.258823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -50 °C(lit.); -50°C
• Boiling Point: 149-151°C; 150-151 °C(lit.)
• Flash Point: 33°C(91°F); 34 °C; 93.2 °F
• Density: 0.757 g/mL at 25 °C(lit.); 0.758
• Refractive Index: 1.4220; n20/D 1.422(lit.)
• Vapor Pressure: 16 mmHg ( 37.7 °C)

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38; 10-65
• Safety Statements: 16-26-36/37/39; 62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H304-H226
• GHS Precautionary statements: P261-P305 + P351 + P338; P301+P330+P331-P315
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 3

Product Information

• Purity: 98%; 99%
• Linear Formula: CH3(CH2)6C≡CH

DETAILS

MP Biomedicals - 05212969

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 253871

Packaging
5, 25 g in glass bottle