hexa-2,4-diene

• ChemBase ID: 89895
• Molecular Formular: C6H10
• Molecular Mass: 82.1436
• Monoisotopic Mass: 82.07825032
• SMILES: C/C=C/C=C/C
• Canonical SMILES: C/C=C/C=C/C
• InChI: InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3
• InChIKey: APPOKADJQUIAHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexa-2,4-diene
• IUPAC Traditional name: 2,4-hexadiene
• Synonyms: 2,4-Hexadiene, mixture of isomers; cis-2-trans-4-HEXADIENE; 2,4-Hexadiene; 2,4-己二烯（异构体混合物）

Database IDs

• CAS Number: 592-46-1; 5194-50-3
• EC Number: 225-979-3; 209-757-3
• MDL Number: MFCD00009297
• PubChem SID: 162076750; 24871656
• PubChem CID: 638071

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4072945
• LogD (pH = 7.4): 2.4072945
• Log P: 2.4072945
• Molar Refractivity: 31.6414 cm^3
• Polarizability: 11.380313 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82 °C(lit.); 82°C
• Flash Point: -13 °C; 8.6 °F
• Density: 0.72 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.445(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2458
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38; R:10
• Safety Statements: 16-26-36; S:9-16-29
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-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 2458 3/PG 2

Product Information

• Purity: 90%
• Grade: technical grade
• Impurities: 10% positional double bond isomers
• Linear Formula: CH3CH=CHCH=CHCH3

DETAILS

MP Biomedicals - 05220543

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 479861

Packaging
1, 5, 10 g in ampule