hex-1-ene

• ChemBase ID: 104834
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: CCCCC=C
• Canonical SMILES: CCCCC=C
• InChI: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
• InChIKey: LIKMAJRDDDTEIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hex-1-ene
• IUPAC Traditional name: 1-hexene; hexanen
• Synonyms: 1-HEXENE,99%; Butyl ethylene; Hexene; Hexylene; 1-HEXENE; 1-Hexene; 1-己烯

Database IDs

• CAS Number: 592-41-6
• EC Number: 209-753-1
• MDL Number: MFCD00009505
• Beilstein Number: 1209240
• PubChem SID: 24877670; 162091789; 24853813; 24854435
• PubChem CID: 11597
• Chemspider ID: 11109
• Wikipedia Title: 1-Hexene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8271499
• LogD (pH = 7.4): 2.8271499
• Log P: 2.8271499
• Molar Refractivity: 29.4523 cm^3
• Polarizability: 11.603333 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: Colorless liquid
• Melting Point: -139.8 °C; -139.8 °C, 133.4 K, -219.64 °F; -140°C
• Boiling Point: 60-66 °C(lit.); 62-64°C; 63°C; 63.3 °C at 1013 hPa
• Flash Point: -13 °F; -25 °C; -25°C(-13°F); -26.11°C
• Auto Ignition Point: 487 °F
• Density: 0.673; 0.673 g/cm^3, liquid; 0.678 g/mL at 25 °C(lit.); 673.1 kg/m3 at 20 °C
• Refractive Index: 1.3880; n20/D 1.388; n20/D 1.388(lit.)
• Vapor Pressure: 155 mmHg ( 21.1 °C); 200 hPa at 20 °C
• Vapor Density: 3 (vs air)
• Viscosity: 0.51 cP (0.51 mPa·s) at 28°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: MP6670000
• European Hazard Symbols: Flammable (F); Nature polluting (N); X; Harmful (Xn)
• UN Number: 2370; UN2370
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Australian Hazchem: 3YE
• Risk Statements: 11-51/53-65; 11-65; R:11
• Safety Statements: 9-16-23-29-62; 9-16-23-33-36-57-60-62; S:9-16
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304; H225-H304-H411-H401
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2370 3/PG 2

Product Information

• Purity: ≥96.0% (GC); ≥99%; ≥99.8% (GC); 97%; 98%; 99%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)3CH=CH2

DETAILS

MP Biomedicals - 05207577

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157367

Purity: 97%
1 ml = approx. 0.67 g

Sigma Aldrich - 320323

Packaging
1 L in glass bottle

Sigma Aldrich - 230545

Packaging
1 L in glass bottle
100 mL in glass bottle

Sigma Aldrich - 240761

Packaging
50, 100 mL in Sure/Seal™