Tri-Endothal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    145-73-3

    Molecular formula
    C8H10O5

    SMILES
    C1CC2C(C(C1O2)C(=O)O)C(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Odorless 65.47%
    Nutty 24.87%
    Roasted 24.65%
    Savory 21.79%
    Burnt 20.88%
    Meaty 20.19%
    Cooked 19.67%
    Caramellic 19.44%
    Sweet 18.62%
    Sour 17.93%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.5

    Molecular weight
    186.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Melting point expt.

    • Converted to anhydride at 90 °C
    • Colorless crystals. MP: 144 °C /Endothall monohydrate/

    Flash point est.
    189.2 ˚C

    Solubility expt.

    • In water, 1.0X10+5 mg/L at 20 °C
    • Solubility at 20 °C, g/100 g: acetone 7.0, benzene 0.01, methanol 28
    • Solubility at 20 °C, g/kg: dioxane 76, diethyl ether 1, isopropanol 17

  • Synonyms

    • endothall
    • Endothal
    • 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
    • 145-73-3
    • Tri-Endothal
    • Hydrothal-47
    • Hydrothal-191
    • Aquathol
    • Endothal technical
    • 3,6-endo-Oxohexahydrophthalic acid
    • RCRA waste number P088
    • 3,6-endo-Oxyphthalic acid hexahydro-
    • DTXSID7024081
    • NSC237771
    • NSC 112771
    • Phthalic acid, hexahydro-3,6-endo-oxy-
    • 28874-46-6
    • CAS-145-73-3
    • DTXCID204081
    • Niagrathal
    • 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (1R,2S,3R,4S)-rel-
    • 1, 3,6-endo-epoxy-
    • Phthalic acid,6-endo-oxy-
    • CHEMBL8080
    • Lopac0_000542
    • SCHEMBL55158
    • BMK1-H1
    • 1, hexahydro-3,6-endo-oxy-
    • WLN: T55 A AOTJ CVQ DVQ
    • Tox21_202446
    • Tox21_300094
    • HSCI1_000365
    • NSC112771
    • AKOS024418784
    • CCG-204632
    • HY-113976A
    • NSC-237771
    • NCGC00015419-02
    • NCGC00015419-03
    • NCGC00015419-04
    • NCGC00015419-05
    • NCGC00015419-06
    • NCGC00015419-07
    • NCGC00093930-01
    • NCGC00093930-02
    • NCGC00254025-01
    • NCGC00259995-01
    • MS-23003
    • DB-042801
    • CS-0086309
    • EU-0100542
    • NS00015678
    • D85116
    • E 7649
    • SR-01000075864
    • Q3054030
    • SR-01000075864-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.74
    methanol 32.91
    isopropanol 11.08
    water 16.94
    ethyl acetate 5.27
    n-propanol 8.54
    acetone 18.12
    n-butanol 9.07
    acetonitrile 7.94
    DMF 136.97
    toluene 0.61
    isobutanol 6.33
    1,4-dioxane 14.21
    methyl acetate 6.56
    THF 63.53
    2-butanone 7.91
    n-pentanol 8.2
    sec-butanol 6.45
    n-hexane 0.24
    ethylene glycol 34.61
    NMP 56.95
    cyclohexane 0.09
    DMSO 320.98
    n-butyl acetate 7.0
    n-octanol 8.6
    chloroform 8.25
    n-propyl acetate 5.05
    acetic acid 10.03
    dichloromethane 9.23
    cyclohexanone 13.82
    propylene glycol 17.05
    isopropyl acetate 4.88
    DMAc 82.86
    2-ethoxyethanol 42.68
    isopentanol 10.4
    n-heptane 0.32
    ethyl formate 10.84
    1,2-dichloroethane 8.05
    n-hexanol 11.9
    2-methoxyethanol 77.44
    isobutyl acetate 3.09
    tetrachloromethane 2.46
    n-pentyl acetate 5.6
    transcutol 20.61
    n-heptanol 9.66
    ethylbenzene 1.07
    MIBK 9.8
    2-propoxyethanol 50.64
    tert-butanol 15.52
    MTBE 2.95
    2-butoxyethanol 27.72
    propionic acid 7.43
    o-xylene 1.14
    formic acid 41.13
    diethyl ether 2.5
    m-xylene 1.44
    p-xylene 1.45
    chlorobenzene 1.57
    dimethyl carbonate 8.36
    n-octane 0.29
    formamide 49.92
    cyclopentanone 32.89
    2-pentanone 9.91
    anisole 4.26
    cyclopentyl methyl ether 8.18
    gamma-butyrolactone 39.06
    1-methoxy-2-propanol 51.35
    pyridine 5.3
    3-pentanone 4.41
    furfural 34.77
    n-dodecane 0.36
    diethylene glycol 72.03
    diisopropyl ether 1.36
    tert-amyl alcohol 9.54
    acetylacetone 16.65
    n-hexadecane 0.4
    acetophenone 7.82
    methyl propionate 7.99
    isopentyl acetate 6.67
    trichloroethylene 11.25
    n-nonanol 7.98
    cyclohexanol 5.3
    benzyl alcohol 7.2
    2-ethylhexanol 5.8
    isooctanol 7.43
    dipropyl ether 3.75
    1,2-dichlorobenzene 3.22
    ethyl lactate 12.0
    propylene carbonate 14.26
    n-methylformamide 53.79
    2-pentanol 5.65
    n-pentane 0.13
    1-propoxy-2-propanol 25.74
    1-methoxy-2-propyl acetate 12.58
    2-(2-methoxypropoxy) propanol 19.71
    mesitylene 1.41
    ε-caprolactone 13.92
    p-cymene 2.02
    epichlorohydrin 41.76
    1,1,1-trichloroethane 4.11
    2-aminoethanol 30.43
    morpholine-4-carbaldehyde 58.05
    sulfolane 70.99
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 11.32
    n-hexyl acetate 7.79
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 22.3
    sec-butyl acetate 3.05
    tert-butyl acetate 6.73
    decalin 0.26
    glycerin 53.41
    diglyme 36.24
    acrylic acid 9.11
    isopropyl myristate 4.0
    n-butyric acid 10.26
    acetyl acetate 4.33
    di(2-ethylhexyl) phthalate 6.25
    ethyl propionate 5.7
    nitromethane 39.83
    1,2-diethoxyethane 5.25
    benzonitrile 6.83
    trioctyl phosphate 6.37
    1-bromopropane 2.5
    gamma-valerolactone 45.06
    n-decanol 5.9
    triethyl phosphate 6.05
    4-methyl-2-pentanol 5.72
    propionitrile 5.61
    vinylene carbonate 12.61
    1,1,2-trichlorotrifluoroethane 41.54
    DMS 6.21
    cumene 1.33
    2-octanol 5.9
    2-hexanone 6.74
    octyl acetate 5.6
    limonene 2.11
    1,2-dimethoxyethane 46.46
    ethyl orthosilicate 4.97
    tributyl phosphate 5.58
    diacetone alcohol 21.62
    N,N-dimethylaniline 4.78
    acrylonitrile 11.32
    aniline 2.22
    1,3-propanediol 35.63
    bromobenzene 1.33
    dibromomethane 4.55
    1,1,2,2-tetrachloroethane 11.91
    2-methyl-cyclohexyl acetate 6.83
    tetrabutyl urea 9.93
    diisobutyl methanol 4.42
    2-phenylethanol 10.76
    styrene 0.84
    dioctyl adipate 5.78
    dimethyl sulfate 27.15
    ethyl butyrate 5.84
    methyl lactate 20.15
    butyl lactate 9.34
    diethyl carbonate 4.46
    propanediol butyl ether 19.68
    triethyl orthoformate 4.92
    p-tert-butyltoluene 1.9
    methyl 4-tert-butylbenzoate 13.13
    morpholine 20.59
    tert-butylamine 4.57
    n-dodecanol 4.25
    dimethoxymethane 49.14
    ethylene carbonate 10.27
    cyrene 28.05
    2-ethoxyethyl acetate 6.7
    2-ethylhexyl acetate 4.76
    1,2,4-trichlorobenzene 3.54
    4-methylpyridine 5.55
    dibutyl ether 3.04
    2,6-dimethyl-4-heptanol 4.42
    DEF 18.05
    dimethyl isosorbide 29.47
    tetrachloroethylene 7.43
    eugenol 17.15
    triacetin 7.42
    span 80 13.57
    1,4-butanediol 22.07
    1,1-dichloroethane 4.09
    2-methyl-1-pentanol 6.95
    methyl formate 35.34
    2-methyl-1-butanol 6.98
    n-decane 0.51
    butyronitrile 6.8
    3,7-dimethyl-1-octanol 6.59
    1-chlorooctane 2.4
    1-chlorotetradecane 1.17
    n-nonane 0.44
    undecane 0.42
    tert-butylcyclohexane 0.31
    cyclooctane 0.1
    cyclopentanol 11.46
    tetrahydropyran 4.49
    tert-amyl methyl ether 3.45
    2,5,8-trioxanonane 29.97
    1-hexene 0.92
    2-isopropoxyethanol 20.48
    2,2,2-trifluoroethanol 19.17
    methyl butyrate 8.59

    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