Vat Violet 2

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  • Identifiers

    CAS number
    5462-29-3

    Molecular formula
    C18H10Cl2O2S2

    SMILES
    CC1=CC(=CC2=C1S/C(=C/3\C(=O)C4=C(S3)C(=CC(=C4)Cl)C)/C2=O)Cl

    Safety labels

  • Odor profile

    Fragrance
    Meaty 35.97%
    Roasted 32.95%
    Fruity 29.81%
    Odorless 28.36%
    Cooked 26.96%
    Burnt 26.08%
    Savory 24.92%
    Fatty 23.54%
    Dry 17.94%
    Bitter 17.85%

     

    Flavor
    Bitter 88.58%
    Odorless 23.77%
    Very strong 19.37%
    Nitrile 19.35%
    Indole 18.8%
    Taco 18.62%
    Bread crust 18.53%
    Cedarleaf 18.46%
    Scallion 18.27%
    Cereal 18.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    6.7 (neutral)

    Molecular weight
    393.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    613°C

    Flash point

    • 252.93 ˚C est.

  • Synonyms

    • Vat violet 2
    • Durindone Red 3B
    • PV-Violet R
    • Vat Violet 6RN
    • Durindone Red 3BP
    • Ciba Red 3B
    • Ciba Red F3BN
    • Tina Red 3B
    • Hostavat Violet 6R
    • Sandothrene Red 3B
    • Vat Red Violet RH
    • Vat Printing Red Violet RH
    • Calcoloid Violet 6RD
    • Calcoloid Violet 6RP
    • Segnale Red Violet RH
    • Indanthrene Violet 6RB
    • Arlanone Red Violet RH
    • Hostavat Red Violet RH
    • ZVX9A7UOON
    • Anthragen Red Violet RH
    • Hostaperm Red Violet RH
    • Sanyo Threne Violet IRH
    • Solanthrene Red Violet N
    • Tyrian Red Violet I-RH
    • Amanthrene Red Violet RH
    • Indanthren Red Violet RH
    • Mikethrene Red Violet RH
    • Indo Maroon MA-6608
    • Indo Maroon MV-6601
    • Indanthrene Red Violet RH
    • Nihonthrene Red Violet RH
    • Palanthrene Red Violet RH
    • Romantrene Red Violet FRH
    • Durindone Printing Red 3B
    • C.I. 73385
    • Indanthrene Violet 6RB Extra
    • 5462-29-3
    • Indanthren Printing Red Violet RH
    • UNII-ZVX9A7UOON
    • EINECS 226-750-0
    • NSC 17266
    • NSC-17266
    • (delta2,2'(3H,3'H)-Bibenzo(b)thiophene)-3,3'-dione, 5,5'-dichloro-7,7'-dimethyl-
    • RefChem:203437
    • (delta2,2'(3H,3'H)-Bibenzo(b)thiophene)-3,3'-dione, 5,5'-dichloro-7,7'-dimethyl-(8CI)
    • 226-750-0
    • 5-Chloro-2-(5-chloro-7-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-7--methylbenzo(b)thiophen-3(2H)-one
    • Benzo(b)thiophen-3(2H)-one, 5-chloro-2-(5-chloro-7-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-7--methyl
    • C.I. Vat Violet 2
    • Threne Red Violet RH
    • 5,5'-Dichloro-7,7'-dimethylthioindigo
    • CI 73385
    • ANTHRA RED B
    • Benzo[b]thiophen-3(2H)-one, 5-chloro-2-(5-chloro-7-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-7-methyl-
    • NSC17266
    • DTXSID8063919
    • SCHEMBL12760790
    • HUGACAUYNJDGTB-ISLYRVAYSA-N
    • Benzo(b)thiophen-3(2H)-one, 5-chloro-2-(5-chloro-7-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-7-methyl-
    • Benzo(b)thiophen-3(2H)-one, 5-chloro-2-(5-chloro-7-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-7- -methyl
    • Q27896438
    • 5,5'-Dichloro-7,7'-dimethyl-3H,3'H-[2,2'-bibenzo[b]thiophenylidene]-3,3'-dione
    • (2E)-5-Chloro-2-(5-chloro-7-methyl-3-oxo-1-benzothiophen-2(3H)-ylidene)-7-methyl-1-benzothiophen-3(2H)-one
    • (2E)-5-chloro-2-(5-chloro-7-methyl-3-oxo-benzothiophen-2-ylidene)-7-methyl-benzothiophen-3-one
    • 5-Chloro-2-(5-chloro-7-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-7- -methylbenzo(b)thiophen-3(2H)-one
    • 5-CHLORO-2-(5-CHLORO-7-METHYL-3-OXOBENZO(B)THIEN-2(3H)-YLIDENE)-7-METHYLBENZO(B)THIOPHEN-3(2H)-ONE
    • 5-Chloro-2-(5-chloro-7-methyl-3-oxobenzo[b]thiophen-2-ylidene)-7-methylbenzo[b]thiophen-3-one
    • 5462-29-3

  • Applications

    Vat Violet 2, CAS 5462-29-3, is a vat dye primarily used for dyeing cellulose fibers (cotton, viscose) via the vat process; it is also employed in textile printing and coatings on fabrics to achieve a deep violet shade; in leather finishing, it can be used for dyeing and surface finishing of leather; additionally, it may serve as a colorant for plastics and polymer formulations or in plastic coating systems; it also functions as an intermediate in the synthesis of other vat dyes and pigments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.57
    methanol 0.36
    isopropanol 0.27
    water 0.0
    ethyl acetate 4.82
    n-propanol 0.62
    acetone 3.04
    n-butanol 0.59
    acetonitrile 1.91
    DMF 25.96
    toluene 3.97
    isobutanol 0.43
    1,4-dioxane 11.05
    methyl acetate 5.3
    THF 23.49
    2-butanone 5.88
    n-pentanol 0.71
    sec-butanol 0.48
    n-hexane 0.03
    ethylene glycol 0.24
    NMP 37.84
    cyclohexane 0.06
    DMSO 3.92
    n-butyl acetate 9.57
    n-octanol 0.66
    chloroform 17.48
    n-propyl acetate 6.66
    acetic acid 1.92
    dichloromethane 14.73
    cyclohexanone 14.06
    propylene glycol 0.29
    isopropyl acetate 4.52
    DMAc 38.57
    2-ethoxyethanol 4.87
    isopentanol 0.71
    n-heptane 0.07
    ethyl formate 3.07
    1,2-dichloroethane 6.65
    n-hexanol 1.12
    2-methoxyethanol 6.16
    isobutyl acetate 5.31
    tetrachloromethane 0.81
    n-pentyl acetate 7.35
    transcutol 14.97
    n-heptanol 1.03
    ethylbenzene 2.24
    MIBK 3.7
    2-propoxyethanol 10.28
    tert-butanol 0.34
    MTBE 1.27
    2-butoxyethanol 6.03
    propionic acid 1.52
    o-xylene 2.26
    formic acid 0.85
    diethyl ether 1.37
    m-xylene 2.28
    p-xylene 3.2
    chlorobenzene 8.07
    dimethyl carbonate 6.91
    n-octane 0.05
    formamide 2.31
    cyclopentanone 21.75
    2-pentanone 4.45
    anisole 10.75
    cyclopentyl methyl ether 6.17
    gamma-butyrolactone 25.63
    1-methoxy-2-propanol 4.65
    pyridine 19.69
    3-pentanone 4.57
    furfural 33.2
    n-dodecane 0.06
    diethylene glycol 5.6
    diisopropyl ether 0.55
    tert-amyl alcohol 0.57
    acetylacetone 10.73
    n-hexadecane 0.08
    acetophenone 14.05
    methyl propionate 6.29
    isopentyl acetate 10.32
    trichloroethylene 33.22
    n-nonanol 0.89
    cyclohexanol 1.05
    benzyl alcohol 5.65
    2-ethylhexanol 1.62
    isooctanol 1.14
    dipropyl ether 2.61
    1,2-dichlorobenzene 9.52
    ethyl lactate 4.21
    propylene carbonate 13.59
    n-methylformamide 5.03
    2-pentanol 0.42
    n-pentane 0.02
    1-propoxy-2-propanol 6.82
    1-methoxy-2-propyl acetate 18.56
    2-(2-methoxypropoxy) propanol 10.6
    mesitylene 1.2
    ε-caprolactone 17.03
    p-cymene 2.42
    epichlorohydrin 33.98
    1,1,1-trichloroethane 5.93
    2-aminoethanol 0.58
    morpholine-4-carbaldehyde 45.62
    sulfolane 22.7
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 9.51
    n-hexyl acetate 5.76
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 8.67
    sec-butyl acetate 5.66
    tert-butyl acetate 6.55
    decalin 0.15
    glycerin 1.2
    diglyme 21.74
    acrylic acid 2.15
    isopropyl myristate 3.6
    n-butyric acid 2.5
    acetyl acetate 4.94
    di(2-ethylhexyl) phthalate 6.09
    ethyl propionate 6.33
    nitromethane 8.79
    1,2-diethoxyethane 8.23
    benzonitrile 10.35
    trioctyl phosphate 2.58
    1-bromopropane 2.07
    gamma-valerolactone 45.79
    n-decanol 0.74
    triethyl phosphate 6.23
    4-methyl-2-pentanol 0.48
    propionitrile 2.28
    vinylene carbonate 15.88
    1,1,2-trichlorotrifluoroethane 22.5
    DMS 13.27
    cumene 1.6
    2-octanol 0.74
    2-hexanone 5.72
    octyl acetate 3.92
    limonene 2.53
    1,2-dimethoxyethane 13.66
    ethyl orthosilicate 5.8
    tributyl phosphate 3.8
    diacetone alcohol 5.95
    N,N-dimethylaniline 8.05
    acrylonitrile 5.22
    aniline 4.69
    1,3-propanediol 1.12
    bromobenzene 9.8
    dibromomethane 5.81
    1,1,2,2-tetrachloroethane 17.89
    2-methyl-cyclohexyl acetate 10.22
    tetrabutyl urea 7.35
    diisobutyl methanol 1.13
    2-phenylethanol 8.9
    styrene 3.01
    dioctyl adipate 7.22
    dimethyl sulfate 12.9
    ethyl butyrate 8.33
    methyl lactate 4.78
    butyl lactate 6.5
    diethyl carbonate 6.52
    propanediol butyl ether 3.42
    triethyl orthoformate 8.41
    p-tert-butyltoluene 2.19
    methyl 4-tert-butylbenzoate 13.23
    morpholine 12.74
    tert-butylamine 0.19
    n-dodecanol 0.61
    dimethoxymethane 12.17
    ethylene carbonate 10.08
    cyrene 16.08
    2-ethoxyethyl acetate 13.82
    2-ethylhexyl acetate 9.77
    1,2,4-trichlorobenzene 15.26
    4-methylpyridine 19.26
    dibutyl ether 1.89
    2,6-dimethyl-4-heptanol 1.13
    DEF 11.95
    dimethyl isosorbide 34.34
    tetrachloroethylene 8.69
    eugenol 16.36
    triacetin 11.28
    span 80 6.64
    1,4-butanediol 0.53
    1,1-dichloroethane 4.24
    2-methyl-1-pentanol 1.02
    methyl formate 4.57
    2-methyl-1-butanol 0.74
    n-decane 0.08
    butyronitrile 2.24
    3,7-dimethyl-1-octanol 1.14
    1-chlorooctane 0.71
    1-chlorotetradecane 0.39
    n-nonane 0.06
    undecane 0.07
    tert-butylcyclohexane 0.12
    cyclooctane 0.04
    cyclopentanol 1.4
    tetrahydropyran 5.21
    tert-amyl methyl ether 1.88
    2,5,8-trioxanonane 17.45
    1-hexene 0.31
    2-isopropoxyethanol 3.67
    2,2,2-trifluoroethanol 1.4
    methyl butyrate 7.94

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction