deca-1,9-diene

• ChemBase ID: 137271
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: C=CCCCCCCC=C
• Canonical SMILES: C=CCCCCCCC=C
• InChI: InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2
• InChIKey: NLDGJRWPPOSWLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: deca-1,9-diene
• IUPAC Traditional name: 1,9-decadiene
• Synonyms: 1,9-Decadiene; 1,9-癸二烯

Database IDs

• CAS Number: 1647-16-1
• EC Number: 216-711-6
• MDL Number: MFCD00008670
• Beilstein Number: 1697870
• PubChem SID: 24861533; 162231535; 24847366; 24858383
• PubChem CID: 15439

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3014364
• LogD (pH = 7.4): 4.3014364
• Log P: 4.3014364
• Molar Refractivity: 47.9004 cm^3
• Polarizability: 18.763096 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 169 °C(lit.); 169°C
• Flash Point: 105.8 °F; 41 °C; 42°C(107°F)
• Density: 0.75; 0.75 g/mL at 25 °C(lit.)
• Refractive Index: 1.4325; n20/D 1.432; n20/D 1.432(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: 10-36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H226-H315-H319-H335-H400
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P273-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 3295 3/PG 3

Product Information

• Purity: ≥95.0% (GC); 96%; 97%; 98%
• Grade: purum
• Linear Formula: CH2=CH(CH2)6CH=CH2

DETAILS

Sigma Aldrich - 118303

Packaging
5 g in glass bottle