dec-1-yne

• ChemBase ID: 108121
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: CCCCCCCCC#C
• Canonical SMILES: CCCCCCCCC#C
• InChI: InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3
• InChIKey: ILLHQJIJCRNRCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-1-yne
• IUPAC Traditional name: decyne
• Synonyms: Dec-1-yne; 1-Decyne; Decyne; 1-Decyne; n-Octylacetylene; 1-DECYNE; 1-癸炔

Database IDs

• CAS Number: 764-93-2
• EC Number: 212-132-8
• MDL Number: MFCD00009576
• Beilstein Number: 1236372
• PubChem SID: 162094084; 24854671
• PubChem CID: 12997
• Chemspider ID: 12456
• Wikipedia Title: Decyne

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1022577
• LogD (pH = 7.4): 4.1022577
• Log P: 4.1022577
• Molar Refractivity: 46.2738 cm^3
• Polarizability: 18.105852 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -44 °C(lit.); -44°C; -44°C
• Boiling Point: 174 °C(lit.); 174°C; 174-176°C
• Flash Point: 118.4 °F; 48 °C; 48°C (118.4°F); 50°C(122°F)
• Density: 0.766 g/mL at 25 °C(lit.); 0.767; 0.767 g/cm^3
• Refractive Index: 1.426–1.428; 1.4270; n20/D 1.427(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 10-37/38-41-51/53; R10 R36 R37 R38
• Safety Statements: 26-39-60-61; S16 S26 S37 S39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226; H226-H315-H318-H335-H410
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P501
• 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%
• Linear Formula: CH3(CH2)7C≡CH

DETAILS

MP Biomedicals - 05206126

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 244384

Packaging
5, 25 g in glass bottle

REFERENCES

• For details of hydroalumination (DIBAH) and subsequent palladium(0)-catalyzed coupling with (Z)-1-hexenyl iodide, see: Org. Synth. Coll., 8, 295 (1993).