Triton X-100

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  • Identifiers

    CAS number
    2315-67-5

    Molecular formula
    C16H26O2

    SMILES
    CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 61.17%
    Floral 51.78%
    Dry 41.23%
    Amber 39.68%
    Musk 38.45%
    Vetiver 34.76%
    Leathery 34.44%
    Animal 31.99%
    Green 31.49%
    Powdery 31.41%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Flash point est.
    158.08 ˚C

  • Synonyms

    • Triton X-100
    • 2315-67-5
    • 9002-93-1
    • Octoxinol
    • Octoxynol-1
    • 4-tert-Octylphenol Monoethoxylate
    • Triton X
    • Ethanol, 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
    • 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
    • Octoxynol 1
    • 2-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)ethanol
    • 2-[4-(1,1,3,3-Tetramethylbutyl)phenoxy]ethanol
    • 20CAX7IO75
    • NSC-5259
    • 2-[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]ethanol
    • 63869-93-2
    • Triton,(-)
    • NCGC00091012-01
    • Triton x-45
    • Triton X 45
    • Triton X 305
    • DSSTox_CID_14085
    • DSSTox_RID_79110
    • DSSTox_GSID_34085
    • Marlophen 820
    • Neutronyx 605
    • 2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethanol
    • Ethanol, 2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-
    • Hyonic pe-250
    • 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol
    • Triton X 35
    • Octoxinolum
    • Triton X 165
    • Triton X 405
    • Triton X 705
    • Triton X-102
    • Peg 4-isooctylphenyl ether
    • Peg 4-tert-octylphenyl ether
    • CAS-9002-93-1
    • Octylphenol Ethoxylate
    • Ethanol, octylphenoxy-
    • Triton X 102
    • OP1EO
    • 2-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)ethan-1-ol
    • UNII-20CAX7IO75
    • 2-(4-tert-Octylphenoxy)ethanol
    • Octoxinol (INN)
    • NSC 5259
    • Peg (P-(1,1,3,3-tetramethylbutyl)phenyl) ether
    • Octoxynol 9 (NF)
    • Triton,(+)
    • Igepal CA-210
    • 4-tert-Octylphenyl (2-Hydroxyethyl)ether
    • Triton X-100 solution
    • Octylphenol monoethoxylates
    • Triton? X-305 solution
    • OCTOXYNOL-1 [II]
    • Triton X-100 (TN)
    • TRITON X-15
    • SCHEMBL33822
    • OCTOXYNOL 1 [VANDF]
    • CHEMBL39763
    • alpha-(P-(1,1,3,3-Tetramethylbutyl)phenoxy)ethanol
    • CHEBI:9750
    • TRITON X-15 SURFACTANT
    • DTXSID1058680
    • BDBM81480
    • NSC5259
    • CHEBI:177811
    • Bio1_000474
    • Bio1_000963
    • Bio1_001452
    • ETHANOL, 2-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)-
    • CAS_5590
    • NSC_5590
    • EINECS 264-520-1
    • Tox21_111055
    • Tox21_202544
    • MFCD00132505
    • PDSP1_001087
    • PDSP2_001071
    • STL451484
    • AT25387
    • HY-W338581
    • NSC-406472
    • NCGC00260093-01
    • AS-68067
    • CAS_118-96-7
    • DA-68359
    • Ethanol,1,3,3-tetramethylbutyl)phenoxy]-
    • CS-0449852
    • NS00004478
    • D05229
    • SBI-0654025.0001
    • P-TERT-OCTYLPHENYL (2-HYDROXYETHYL)ETHER
    • Q27253450
    • 4-iso-Octylphenol-mono-ethoxylate 10 microg/mL in Acetone
    • Glycols, mono[p-(1,1,3,3-tetramethylbutyl)phenyl] ether
    • 3,9,12,15,18,21,24,27,30-Decaoxatriacontan-1-ol, 30-[p-(1,1,3,3-tetramethylbutyl)phenyl]-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 725.42
    methanol 671.89
    isopropanol 451.73
    water 0.34
    ethyl acetate 569.22
    n-propanol 562.13
    acetone 491.61
    n-butanol 574.9
    acetonitrile 288.56
    DMF 507.31
    toluene 198.55
    isobutanol 410.76
    1,4-dioxane 682.7
    methyl acetate 416.87
    THF 1080.44
    2-butanone 420.12
    n-pentanol 363.99
    sec-butanol 358.0
    n-hexane 92.13
    ethylene glycol 114.5
    NMP 446.35
    cyclohexane 103.12
    DMSO 345.07
    n-butyl acetate 594.53
    n-octanol 238.95
    chloroform 789.41
    n-propyl acetate 367.65
    acetic acid 427.42
    dichloromethane 672.02
    cyclohexanone 593.97
    propylene glycol 230.65
    isopropyl acetate 436.88
    DMAc 495.66
    2-ethoxyethanol 533.24
    isopentanol 463.41
    n-heptane 95.82
    ethyl formate 307.64
    1,2-dichloroethane 497.84
    n-hexanol 696.44
    2-methoxyethanol 788.22
    isobutyl acetate 336.61
    tetrachloromethane 126.51
    n-pentyl acetate 293.7
    transcutol 1552.57
    n-heptanol 255.13
    ethylbenzene 129.28
    MIBK 366.86
    2-propoxyethanol 969.83
    tert-butanol 602.56
    MTBE 675.52
    2-butoxyethanol 422.81
    propionic acid 305.98
    o-xylene 149.34
    formic acid 143.09
    diethyl ether 600.84
    m-xylene 198.15
    p-xylene 173.66
    chlorobenzene 250.24
    dimethyl carbonate 190.77
    n-octane 34.49
    formamide 141.22
    cyclopentanone 567.47
    2-pentanone 463.85
    anisole 273.41
    cyclopentyl methyl ether 625.03
    gamma-butyrolactone 580.32
    1-methoxy-2-propanol 645.38
    pyridine 308.29
    3-pentanone 321.83
    furfural 451.55
    n-dodecane 23.52
    diethylene glycol 552.23
    diisopropyl ether 262.56
    tert-amyl alcohol 420.51
    acetylacetone 449.1
    n-hexadecane 26.31
    acetophenone 235.78
    methyl propionate 413.6
    isopentyl acetate 554.73
    trichloroethylene 769.75
    n-nonanol 209.31
    cyclohexanol 420.32
    benzyl alcohol 201.0
    2-ethylhexanol 375.79
    isooctanol 218.96
    dipropyl ether 494.19
    1,2-dichlorobenzene 256.8
    ethyl lactate 207.75
    propylene carbonate 407.05
    n-methylformamide 259.19
    2-pentanol 369.32
    n-pentane 83.67
    1-propoxy-2-propanol 687.79
    1-methoxy-2-propyl acetate 605.18
    2-(2-methoxypropoxy) propanol 365.7
    mesitylene 138.36
    ε-caprolactone 553.43
    p-cymene 144.13
    epichlorohydrin 727.99
    1,1,1-trichloroethane 478.3
    2-aminoethanol 284.75
    morpholine-4-carbaldehyde 647.93
    sulfolane 581.75
    2,2,4-trimethylpentane 60.54
    2-methyltetrahydrofuran 755.47
    n-hexyl acetate 429.24
    isooctane 58.0
    2-(2-butoxyethoxy)ethanol 537.4
    sec-butyl acetate 303.88
    tert-butyl acetate 550.97
    decalin 64.1
    glycerin 252.07
    diglyme 839.28
    acrylic acid 218.31
    isopropyl myristate 167.71
    n-butyric acid 541.93
    acetyl acetate 341.24
    di(2-ethylhexyl) phthalate 153.37
    ethyl propionate 308.47
    nitromethane 482.85
    1,2-diethoxyethane 566.69
    benzonitrile 234.12
    trioctyl phosphate 132.17
    1-bromopropane 399.61
    gamma-valerolactone 764.06
    n-decanol 156.72
    triethyl phosphate 174.5
    4-methyl-2-pentanol 266.01
    propionitrile 278.13
    vinylene carbonate 336.5
    1,1,2-trichlorotrifluoroethane 547.47
    DMS 294.67
    cumene 119.8
    2-octanol 168.43
    2-hexanone 325.06
    octyl acetate 212.23
    limonene 224.43
    1,2-dimethoxyethane 680.22
    ethyl orthosilicate 194.04
    tributyl phosphate 164.39
    diacetone alcohol 482.02
    N,N-dimethylaniline 198.12
    acrylonitrile 235.77
    aniline 217.73
    1,3-propanediol 392.09
    bromobenzene 267.08
    dibromomethane 494.35
    1,1,2,2-tetrachloroethane 664.64
    2-methyl-cyclohexyl acetate 338.19
    tetrabutyl urea 179.23
    diisobutyl methanol 197.26
    2-phenylethanol 299.87
    styrene 136.63
    dioctyl adipate 225.26
    dimethyl sulfate 229.29
    ethyl butyrate 395.39
    methyl lactate 245.1
    butyl lactate 252.27
    diethyl carbonate 237.54
    propanediol butyl ether 391.43
    triethyl orthoformate 296.31
    p-tert-butyltoluene 154.83
    methyl 4-tert-butylbenzoate 266.99
    morpholine 804.6
    tert-butylamine 409.08
    n-dodecanol 118.89
    dimethoxymethane 604.63
    ethylene carbonate 316.8
    cyrene 277.02
    2-ethoxyethyl acetate 405.83
    2-ethylhexyl acetate 455.22
    1,2,4-trichlorobenzene 285.82
    4-methylpyridine 368.56
    dibutyl ether 306.66
    2,6-dimethyl-4-heptanol 197.26
    DEF 424.61
    dimethyl isosorbide 558.27
    tetrachloroethylene 406.34
    eugenol 245.75
    triacetin 350.1
    span 80 318.15
    1,4-butanediol 174.04
    1,1-dichloroethane 495.88
    2-methyl-1-pentanol 315.45
    methyl formate 223.87
    2-methyl-1-butanol 404.64
    n-decane 45.3
    butyronitrile 380.73
    3,7-dimethyl-1-octanol 238.6
    1-chlorooctane 180.22
    1-chlorotetradecane 67.86
    n-nonane 47.06
    undecane 31.2
    tert-butylcyclohexane 76.79
    cyclooctane 47.59
    cyclopentanol 356.89
    tetrahydropyran 729.5
    tert-amyl methyl ether 468.85
    2,5,8-trioxanonane 539.83
    1-hexene 236.91
    2-isopropoxyethanol 423.43
    2,2,2-trifluoroethanol 147.99
    methyl butyrate 371.68

    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