Cas no 472-80-0 (3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-)

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- structure
472-80-0 structure
Product Name:3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
CAS No:472-80-0
MF:C13H22O
MW:194.313184261322
CID:1523558
PubChem ID:5373729
Update Time:2025-04-21

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- Chemical and Physical Properties

Names and Identifiers

    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
    • (E)-4-(2,6,6-trimethylcyclohex-1-enyl)-3-buten-2-ol
    • CS-0336379
    • beta-Ionol, (E)-
    • (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol #
    • Ionol,beta
    • SCHEMBL891562
    • (E)-beta-ionol
    • (E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-ol
    • UNII-HTL4B7G3HH
    • Trans-beta-ionol
    • beta-Ionol, analytical standard
    • (+/-)-Trans-beta-I(Eonol
    • TRANS-.BETA.-IONOL
    • .BETA.-IONOL [FHFI]
    • (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol
    • EINECS 244-735-7
    • AKOS027320412
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
    • HTL4B7G3HH
    • 73952-68-8
    • 4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-ol
    • 472-80-0
    • FEMA No. 3625
    • (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
    • CHEBI:191586
    • beta-Ionol, technical, >=90% (GC)
    • 22029-76-1
    • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
    • 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • beta-lonol
    • AI3-25084
    • .BETA.-IONOL, (E)-
    • 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-ol
    • 2-Hydroxy-beta-ionone
    • .beta. Ionol
    • beta-Ionol
    • Ionol, beta-
    • .BETA.-IONOL
    • But-3-en-2-ol, 4-(2,6,6-trimethyl-1-cyclohexenyl)-
    • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-ol
    • (+/-)-TRANS-.BETA.-IONOL
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • Q27280092
    • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-But-3-en-2-ol
    • b-Ionol
    • EINECS 277-648-8
    • STL560972
    • MDL： MFCD00036597
    • Inchi： 1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+
    • InChI Key： CNOPDZWOYFOHGN-BQYQJAHWSA-N
    • SMILES： OC(C)/C=C/C1=C(C)CCCC1(C)C

Computed Properties

  • Exact Mass: 194.16716
  • Monoisotopic Mass: 194.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 258
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- Related Literature

Related Categories

472-80-0 (3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-) Related Products

Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd