Heptyl acrylate

Base Information

• Chemical Name: Heptyl acrylate
• CAS No.: 2499-58-3
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2916129000
• European Community (EC) Number: 219-695-9
• NSC Number: 24168
• DSSTox Substance ID: DTXSID0062474
• Nikkaji Number: J83.957D
• Wikidata: Q81990062
• Mol file: 2499-58-3.mol

Synonyms:Heptyl acrylate;n-Heptyl acrylate;2499-58-3;2-Propenoic acid, heptyl ester;heptyl prop-2-enoate;ACRYLIC ACID, HEPTYL ESTER;ENT 15748;EINECS 219-695-9;NSC 24168;BRN 1759831;AI3-15748;SCHEMBL33859;DTXSID0062474;NSC24168;ENT-15748;MFCD00048907;NSC-24168;AKOS006230584;LS-14710;FT-0626929

Chemical Property of Heptyl acrylate

Chemical Property:

• Vapor Pressure: 0.17mmHg at 25°C
• Melting Point: -89.9°C (estimate)
• Refractive Index: 1.4262 (estimate)
• Boiling Point: 212.8°Cat760mmHg
• Flash Point: 67.9°C
• PSA: 26.30000
• Density: 0.885g/cm³
• LogP: 2.68600
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99%, ^*data from raw suppliers

N-HEPTYL ACRYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.; R51/53:Toxic to aquatic organisms, may cause long-term advers
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.; R51/53:Toxic to aquatic organisms, may cause long-term advers
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC(=O)C=C

Technology Process of Heptyl acrylate

There total 12 articles about Heptyl acrylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

Acrylic acid 7-iodo-heptyl ester (109182-96-9) → Oxacycloundecan-2-one (5579-79-3) + heptyl acrylate (2499-58-3) + 1,12-dioxacyclodocosane-2,13-dione (1047-97-8)

Guidance literature:

With sodium cyanoborohydride; In methanol; for 3h; Yields of byproduct given; Ambient temperature; Irradiation;

DOI:10.1246/cl.1994.1789

Reference yield: 28.0%

Acrylic acid 7-iodo-heptyl ester (109182-96-9) → Oxacycloundecan-2-one (5579-79-3) + heptyl acrylate (2499-58-3)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tertbutyltin hydride; In benzene; for 3h; Heating;

DOI:10.1021/ja00250a036

Reference yield:

n-heptan1ol (111-70-6) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-methoxypropionate (3852-09-3) + heptyl acrylate (2499-58-3) + heptyl 3-methoxypropanoate (14064-19-8) + methyl 3-(heptyloxy)propanoate (14144-64-0) + heptyl 3-(heptyloxy)propanoate (14226-26-7)

Guidance literature:

With sodium hydroxide; at 20 - 65 ℃; for 6h;

DOI:10.1039/c5nj02223a

upstream raw materials:

n-heptan1ol

acrylic acid methyl ester

sulfuric acid mono-(2-carbamoyl-ethyl) ester

Acrylic acid 7-iodo-heptyl ester

Downstream raw materials:

1-(2-Heptyloxycarbonyl-ethyl)-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester

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