6-(prop-2-enoyloxy)hexyl prop-2-enoate

• ChemBase ID: 150928
• Molecular Formular: C12H18O4
• Molecular Mass: 226.26892
• Monoisotopic Mass: 226.12050906
• SMILES: C=CC(=O)OCCCCCCOC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCCCCCOC(=O)C=C
• InChI: InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2
• InChIKey: FIHBHSQYSYVZQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(prop-2-enoyloxy)hexyl prop-2-enoate
• IUPAC Traditional name: 1,6-hexanediol diacrylate
• Synonyms: HDODA; 1,6-Hexanediol diacrylate; Hexane-1,6-diyl diacrylate; 1,6-己二醇二丙烯酸酯; 1,6-己二醇 二丙烯酸酯

Database IDs

• CAS Number: 13048-33-4
• EC Number: 235-921-9
• MDL Number: MFCD00008631
• PubChem SID: 162245087; 24854827
• PubChem CID: 25644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1192842
• LogD (pH = 7.4): 3.1192842
• Log P: 3.1192842
• Molar Refractivity: 60.864 cm^3
• Polarizability: 23.894558 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: >110°C(>230°F); 113 °C; 235.4 °F
• Density: 1.01 g/mL at 25 °C(lit.); 1.010
• Refractive Index: n20/D 1.456(lit.)
• Vapor Pressure: <0.01 mmHg ( 20 °C)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: AT1430000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/38-43
• Safety Statements: 39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319; H315-H319-H317
• GHS Precautionary statements: P261-P280-P305+P351+P338-P302+P352-P321-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 80%; 95+%; 99% (reactive esters), stab. with 90ppm hydroquinone
• Grade: technical grade
• Contains: 100 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: [H2C=CHCO2(CH2)3-]2

DETAILS

Sigma Aldrich - 246816

Packaging
100, 500 g in poly bottle