(5E)-deca-1,5,9-triene

• ChemBase ID: 137128
• Molecular Formular: C10H16
• Molecular Mass: 136.23404
• Monoisotopic Mass: 136.12520051
• SMILES: C=CCCC=CCCC=C
• Canonical SMILES: C=CCCC=CCCC=C
• InChI: InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3-4,9-10H,1-2,5-8H2
• InChIKey: GMGYODAMPOELNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5E)-deca-1,5,9-triene; deca-1,5,9-triene
• IUPAC Traditional name: (5E)-deca-1,5,9-triene; deca-1,5,9-triene
• Synonyms: 1,5,9-Decatriene, cis + trans; 1,5,9-Decatriene, mixture of cis and trans; 1,5,9-癸三烯,顺式+反式; 1,5,9-癸三烯，顺反异构体混合物

Database IDs

• CAS Number: 13393-64-1
• EC Number: 236-474-2
• MDL Number: MFCD00055625
• PubChem SID: 162231393; 24865707
• PubChem CID: 114646

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9395149
• LogD (pH = 7.4): 3.9395149
• Log P: 3.9395149
• Molar Refractivity: 49.017 cm^3
• Polarizability: 18.538834 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54-55 °C/14 mmHg(lit.); 54-55°C/14mm
• Flash Point: 114.8 °F; 46 °C; 46°C(115°F)
• Density: 0.765; 0.765 g/mL at 25 °C(lit.)
• Refractive Index: 1.4480; n20/D 1.448(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-34-38; 10-36/37/38
• Safety Statements: 16-26-36-36/37/39-45; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: H2C=CHCH2CH2CH=CHCH2CH2CH=CH2