Ligustrazine

  • Identifiers

    CAS number
    1124-11-4

    Molecular formula
    C8H12N2

    SMILES
    CC1=C(N=C(C(=N1)C)C)C

    Retention indicies (RI)

    • DB5: 1085.0
    • Carbowax: 1458.33

  • Odor profile

    nutty 73.35%
    roasted 69.0%
    burnt 62.24%
    cocoa 61.55%
    musty 60.31%
    earthy 57.69%
    coffee 55.93%
    hazelnut 54.18%
    chocolate 51.79%
    potato 41.92%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3 Well soluble in IAA, MMB, DEP

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting points

    • 86 °C

    Boiling points

    • 190.00 °C. @ 760.00 mm Hg

    Solubilities

    • <0.1 [ug/mL] (The mean of the results at pH 7.4)
    • slightly soluble in water; soluble in oils, propylene glycol, organic solvents
    • very soluble (in ethanol)

  • Synonyms

    • 2,3,5,6-Tetramethylpyrazine
    • TETRAMETHYLPYRAZINE
    • 1124-11-4
    • Ligustrazine
    • Pyrazine, tetramethyl-
    • Bs factor
    • Tetrapyrazine
    • Tetramethylpyrazin
    • Chuanxiongzine
    • Liqustrazine
    • 2,3,5,6-Tetramethyl pyrazine
    • chuanxingzine
    • Ligustizine
    • FEMA No. 3237
    • Ligustrazin
    • 2,3,5,6,-Tetramethyl-1,4-pyrazine
    • EINECS 214-391-2
    • V80F4IA5XG
    • MFCD00006146
    • NSC 36080
    • NSC 46451
    • CHUANXIONGQIN
    • 2,3,5,6-Tetramethylpyrazine (natural)
    • DTXSID6047070
    • FEMA 3237
    • Pyrazine, 2,3,5,6-tetramethyl-
    • NSC-36080
    • NSC-46451
    • LIGUSTRAZINE [WHO-DD]
    • MLS000069594
    • 2,3,5,6-Tetramethyl-pyrazine
    • DTXCID4027070
    • CHEBI:133246
    • SMR000059042
    • 2,3,5,6-TETRAMETHYLPYRAZINE [FCC]
    • 2,3,5,6-TETRAMETHYLPYRAZINE [FHFI]
    • 2,5,6-Tetramethylpyrazine
    • TMPZ
    • tetramethyl pyrazine
    • UNII-V80F4IA5XG
    • Ligustrazine (Standard)
    • Opera_ID_849
    • TMP?
    • SCHEMBL77624
    • CHEMBL303697
    • FINHMKGKINIASC-UHFFFAOYSA-
    • HY-N0264R
    • 2,3,5,6-Tetra-methyl-pyrazine
    • Pyrazine, 2,3,5,6-tetramethyl
    • GLXC-10218
    • HMS2235K03
    • HMS3371J08
    • HY-N0264
    • NSC36080
    • NSC46451
    • Tox21_302313
    • BBL012277
    • s3956
    • STL163591
    • 2,3,5,6-Tetramethylpyrazine, 98%
    • AKOS003398567
    • CCG-207974
    • CS-W023183
    • FT04172
    • NCGC00247063-01
    • NCGC00256097-01
    • AC-10515
    • AC-34076
    • AS-13206
    • SY011353
    • CAS-1124-11-4
    • DB-003786
    • NS00013238
    • T0972
    • 2,3,5,6-Tetramethylpyrazine, >=98%, FG
    • EN300-113945
    • F11202
    • 2,3,5,6-Tetramethylpyrazine, analytical standard
    • A802574
    • AC-907/25014219
    • 2,3,5,6-Tetramethylpyrazine, natural, >=98%, FG
    • BRD-K25691735-001-09-5
    • Q11319317
    • Z1741976694
    • 2,3,5,6-Tetramethylpyrazine, Vetec(TM) reagent grade, 98%
    • InChI=1/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
    • 214-391-2
1 4

Botanical

Name CAS Botanical Proportion
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0%