beta-Ionyl acetate

Base Information

Chemical Name:beta-Ionyl acetate
CAS No.:53319-91-8
Molecular Formula:C15H24O2
Molecular Weight:236.354
Hs Code.:
European Community (EC) Number:244-736-2
UNII:7416U6WD2T
Nikkaji Number:J160.381G
Wikidata:Q27266220
Metabolomics Workbench ID:48025

Synonyms:beta-Ionyl acetate;53319-91-8;FEMA no. 3844;Ionyl acetate, beta-;7416U6WD2T;[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl] acetate;beta-Ionyl acetate, (E)-;(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-ol Acetate;UNII-7416U6WD2T;EINECS 244-736-2;(+/-)-beta-ionyl acetate, (E)-;beta-Ionyl acetate, (E)-(+/-)-;22030-19-9;3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2-acetate, (3E)-;3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, acetate, (E)-;b-Ionyl acetate;beta-Ionol acetate;.beta. Ionyl acetate;.beta.-Ionyl acetate;(E)-beta-ionyl acetate;SCHEMBL3503720;IONYL ACETATE, .BETA.-;FEMA 3844;CHEBI:169755;WODKSVNXBYBTQC-CMDGGOBGSA-N;.BETA.-LONYL ACETATE [FHFI];.BETA.-IONYL ACETATE, (E)-;.BETA.-LONYL ACETATE, (E)-;(+/-)-.BETA.-LONYL ACETATE, (E)-;.BETA.-LONYL ACETATE, (E)-(+/-)-;Q27266220;4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate;3-Buten-2-ol 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)acetate;(E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-yl acetate;(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate

Suppliers and Price of beta-Ionyl acetate

Supply Marketing:

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
(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-olAcetate
1g
$ 165.00

TRC
(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-olAcetate
10g
$ 1320.00

Medical Isotopes, Inc.
(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-olAcetate
1 g
$ 650.00

Total 3 raw suppliers

Chemical Property of beta-Ionyl acetate

Chemical Property:

PSA：26.30000
LogP:4.02080
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:236.177630004
Heavy Atom Count:17
Complexity:348

Purity/Quality:

99% ^*data from raw suppliers

(E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-olAcetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CCC1)(C)C)C=CC(C)OC(=O)C
Isomeric SMILES:CC1=C(C(CCC1)(C)C)/C=C/C(C)OC(=O)C
Uses (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-Buten-2-ol Acetate, can be used in the synthesis of Ionyltrimethylsilanes, which are effective building blocks for synthesis of terpenes and carotenoids.

Technology Process of beta-Ionyl acetate

There total 5 articles about beta-Ionyl 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: 98.0%

: 22029-76-1,27008-60-2,35031-11-9,53078-25-4,53108-96-6,81600-95-5,81801-17-4,83348-85-0,472-80-0
beta-ionol

: 108-24-7
acetic anhydride

: 53319-91-8
(E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate

Guidance literature:: With dmap; triethylamine; In dichloromethane; Ambient temperature;
DOI:10.1021/jo00290a057

Reference yield: 95.0%

: 79-77-6,14901-07-6
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one

: 141-78-6
ethyl acetate

: 53319-91-8,53319-92-9,124152-03-0,22030-19-9,73952-68-8
β-Ionolacetat

Guidance literature:: With [Zn(BH₄)2(nmi)]; In tetrahydrofuran; for 4h; regioselective reaction; Reflux;

Reference yield:

: 79-77-6,14901-07-6
(E)-β-ionone

: 53319-91-8
(E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: LiAlH₄

2: pyridine / 6 h / Ambient temperature

With lithium aluminium tetrahydride; In pyridine;
DOI:10.1021/jo00157a026