3-Propylidene-1(3H)-isobenzofuranone

Base Information Edit

Chemical Name:3-Propylidene-1(3H)-isobenzofuranone
CAS No.:17369-59-4
Molecular Formula:C11H10 O2
Molecular Weight:174.199
Hs Code.:2932209090
European Community (EC) Number:241-402-8
UNII:0VB6659N9S
DSSTox Substance ID:DTXSID501018095
Nikkaji Number:J3.558.807H
Wikidata:Q2974642
Metabolomics Workbench ID:45147
ChEMBL ID:CHEMBL1373893
Mol file:17369-59-4.mol

Synonyms:3-propylidenephthalide

Suppliers and Price of 3-Propylidene-1(3H)-isobenzofuranone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Propylidenephthalide
1g
$ 50.00

TCI Chemical
3-Propylidenephthalide >96.0%(GC)
25g
$ 53.00

Sigma-Aldrich
3-Propylidenephthalide mixture of cis and trans isomers, ≥96%, FG
1 kg
$ 281.00

Sigma-Aldrich
3-Propylidenephthalide mixture of
1kg-k
$ 272.00

Sigma-Aldrich
3-Propylidenephthalide mixture of isomers, analytical standard
1ml
$ 100.00

Sigma-Aldrich
3-Propylidenephthalide mixture of cis and trans isomers, ≥96%, FG
100 g
$ 70.00

Sigma-Aldrich
3-Propylidenephthalide mixture of
100g-k
$ 70.00

Sigma-Aldrich
3-Propylidenephthalide mixtureofcisandtransisomers,≥96%,FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
3-Propylidenephthalide mixture of
sample-k
$ 50.00

Sigma-Aldrich
3-Propylidenephthalide mixture of cis and trans isomers, ≥96%, FG
5 kg
$ 1350.00

Total 50 raw suppliers

Chemical Property of 3-Propylidene-1(3H)-isobenzofuranone Edit

Chemical Property:

Appearance/Colour:clear mobile liquid
Vapor Pressure:0.0013mmHg at 25°C
Melting Point:5 °C(lit.)
Refractive Index:n20/D 1.586(lit.)
Boiling Point:170 °C12 mm Hg(lit.)
Flash Point:>230 °F
PSA：26.30000
Density:1.122 g/mL at 25 °C(lit.)
LogP:2.60790
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:174.068079557
Heavy Atom Count:13
Complexity:243

Purity/Quality:

99% ^*data from raw suppliers

3-Propylidenephthalide ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-43
Safety Statements: 23-24/25-37-24

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCC=C1C2=CC=CC=C2C(=O)O1
Isomeric SMILES:CC/C=C/1\C2=CC=CC=C2C(=O)O1
Uses 3-Propylidenephthalide is used in Celery Essential Oil and preparation method thereof.

Technology Process of 3-Propylidene-1(3H)-isobenzofuranone

There total 4 articles about 3-Propylidene-1(3H)-isobenzofuranone 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: 60.0%