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Hexamethylene diacrylate

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Hexamethylene diacrylate

EINECS 235-921-9
CAS No. 13048-33-4 Density 1.011 g/cm3
PSA 52.60000 LogP 2.00520
Solubility Insoluble in water Melting Point 6 °C
Formula C12H18O4 Boiling Point 302.141 °C at 760 mmHg
Molecular Weight 226.273 Flash Point 142.313 °C
Transport Information UN 3082 9/PG 3 Appearance Clear yellow liquid
Safety 39 Risk Codes 36/38-43
Molecular Structure Molecular Structure of 13048-33-4 (Hexamethylene diacrylate) Hazard Symbols IrritantXi
Synonyms

2-Propenoicacid, 1,6-hexanediyl ester (9CI);Acrylic acid, hexamethylene ester (7CI,8CI);1,6-Hexamethylene diacrylate;1,6-Hexamethylenediol diacrylate;1,6-Hexanediyl diacrylate;Hexamethyleneglycol diacrylate;NK Ester A-HD;NewFrontier HDDA;SR 238;SR 238F;Sartomer SR 238;Viscoat 230;

Article Data 13

Hexamethylene diacrylate Consensus Reports

1,6-HEXANEDIOL DIACRYLATE is reported in EPA TSCA Inventory.

Hexamethylene diacrylate Specification

The IUPAC name of 1,6-Hexanediol diacrylate is 6-prop-2-enoyloxyhexyl prop-2-enoate. With the CAS registry number 13048-33-4 and EINECS 235-921-9, it is also named as 1,6-Hexanediol di-2-propenoate. The product's categories are Industrial / Fine Chemicals; Monomer; Diacrylates & Dimethacrylates; Functional Materials; Reagent for High-Performance Polymer Research. It is clear yellow liquid which is temperature sensitive. What's more, this chemical may react vigorously with strong oxidizing agents and react exothermically with reducing agents to release gaseous hydrogen. 1,6-Hexanediol diacrylate is widely used in plastics, adhesives, textiles, rubber, modified copolymers and so on. Additionally, it should be sealed in the container, kept away from light and stored in the well-ventilated and dry place.

The other characteristics of 1,6-Hexanediol diacrylate can be summarized as: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.907; (4)ACD/LogD (pH 7.4): 2.907; (5)ACD/BCF (pH 5.5): 95.368; (6)ACD/BCF (pH 7.4): 95.368; (7)ACD/KOC (pH 5.5): 908.799; (8)ACD/KOC (pH 7.4): 908.799; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 60.644 cm3; (15)Molar Volume: 223.768 cm3; (16)Polarizability: 24.041×10-24 cm3; (17)Surface Tension: 33.177 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 142.313 °C; (20)Enthalpy of Vaporization: 54.233 kJ/mol; (21)Boiling Point: 302.141 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is not only irritating to eyes, but also may cause sensitization by skin contact. If you want to contact this product, you must wear eye / face protection. 

People can use the following data to convert to the molecule structure. 
1. SMILES:C=CC(=O)OCCCCCCOC(=O)C=C
2. InChI:InChI=1/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2
3. InChIKey:FIHBHSQYSYVZQE-UHFFFAOYAN

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3600uL/kg (3.6mL/kg)   Journal of Toxicology and Environmental Health. Vol. 19, Pg. 149, 1986.
rat LD50 intraperitoneal 760mg/kg (760mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0571329,
rat LD50 oral 5gm/kg (5000mg/kg)   Journal of Toxicology and Environmental Health. Vol. 19, Pg. 149, 1986.

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