oct-4-ene

• ChemBase ID: 104449
• Molecular Formular: C8H16
• Molecular Mass: 112.21264
• Monoisotopic Mass: 112.12520051
• SMILES: CCC/C=C/CCC
• Canonical SMILES: CCC/C=C/CCC
• InChI: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3
• InChIKey: IRUCBBFNLDIMIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oct-4-ene; (4E)-oct-4-ene
• IUPAC Traditional name: 4-octene
• Synonyms: cis-4-OCTENE; trans-4-OCTENE; trans-4-Octene; 反式-4-辛烯; 反-4-辛烯

Database IDs

• CAS Number: 7642-15-1; 14850-23-8
• EC Number: 238-913-3
• MDL Number: MFCD00009476
• Beilstein Number: 1719104
• PubChem SID: 162091827; 24881324; 24864400
• PubChem CID: 5357253

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6583536
• LogD (pH = 7.4): 3.6583536
• Log P: 3.6583536
• Molar Refractivity: 39.7268 cm^3
• Polarizability: 15.295921 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 122-123 °C(lit.); 122-123°C; 122-123°C; 123°C
• Flash Point: 21 °C; 21.1°C; 21°C(70°F); 69.8 °F
• Density: 0.71 g/ml; 0.715; 0.715 g/mL at 25 °C(lit.); 0.7212 g/ml
• Refractive Index: 1.4120; n20/D 1.412(lit.)

Safety Information

• Storage Condition: 2-8°C
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1993; 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Australian Hazchem: 3YE
• Risk Statements: 11; 11-65; R:11
• Safety Statements: 16-62; S:9-16-29
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H304
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A; P210-P301 + P310-P331
• 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 2

Product Information

• Purity: ≥90%; 97%; 98%
• Grade: technical grade
• Linear Formula: CH3CH2CH2CH=CHCH2CH2CH3

DETAILS

MP Biomedicals - 05224437

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155974

1 ml = approx. 0.71 g

Sigma Aldrich - 391751

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 593028

Packaging
5, 25 g in glass bottle