(E)-Hept-3-enyl acetate

Base Information

• Chemical Name: (E)-Hept-3-enyl acetate
• CAS No.: 1576-77-8
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.225
• Hs Code.: 2915390090
• European Community (EC) Number: 216-411-5,216-412-0
• UNII: R6VN5HBW4C
• DSSTox Substance ID: DTXSID301014580
• Nikkaji Number: J206.816H,J100.816A
• Wikidata: Q27287863
• Metabolomics Workbench ID: 47838
• Mol file: 1576-77-8.mol

Synonyms:cis-3-heptenyl acetate

Chemical Property of (E)-Hept-3-enyl acetate

Chemical Property:

• Vapor Pressure: 0.404mmHg at 25°C
• Boiling Point: 196.2°Cat760mmHg
• Flash Point: 73.8°C
• PSA: 26.30000
• Density: 0.896g/cm³
• LogP: 2.29590
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CCCOC(=O)C
• Isomeric SMILES: CCC/C=C/CCOC(=O)C

Technology Process of (E)-Hept-3-enyl acetate

There total 5 articles about (E)-Hept-3-enyl acetate 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:

1-bromo-3-heptene (81005-55-2) → 1-acetoxy-hept-3t-ene (1576-77-8)

Guidance literature:

With potassium acetate; In acetic acid; Heating;

Reference yield:

1-cyclopropyl-1-butanone (6705-46-0) → 1-acetoxy-hept-3t-ene (1576-77-8)

Guidance literature:

Multi-step reaction with 3 steps

1: LiAlH₄ / diethyl ether

2: aq. HBr

3: KOAc / acetic acid / Heating

With lithium aluminium tetrahydride; hydrogen bromide; potassium acetate; In diethyl ether; acetic acid;

Reference yield:

1-cyclopropylbutan-1-ol (4426-61-3) → 1-acetoxy-hept-3t-ene (1576-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HBr

2: KOAc / acetic acid / Heating

With hydrogen bromide; potassium acetate; In acetic acid;

upstream raw materials:

1-bromo-3-heptene

pyridine

acetic anhydride

1-cyclopropyl-1-butanone

Downstream raw materials:

trans-3-hepten-1-ol