Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate

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  • Identifiers

    CAS number
    2082-79-3

    Molecular formula
    C35H62O3

    SMILES
    CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 59.81%
    Floral 48.46%
    Woody 44.33%
    Fatty 38.94%
    Balsamic 37.61%
    Oily 36.7%
    Sweet 28.14%
    Fruity 28.1%
    Amber 27.3%
    Dry 25.13%

     

    Flavor
    Mild 38.39%
    Bland 30.4%
    Oily 28.59%
    Waxy 27.74%
    Woody 25.54%
    Balsam 23.61%
    Faint 22.45%
    Delicate 22.16%
    Slightly waxy 21.67%
    Beer 21.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.8

    pKa est.
    -41.46 (strong acid)

    Molecular weight
    530.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    618°C

    Flash point

    • -27.54 ˚C est.

  • Synonyms

    • Irganox 1076
    • stearyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    • IRGANOX-1076
    • TINOGARD TS
    • V88J661G2P
    • Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate
    • SELOSOL F 773
    • SONGNOX 1076
    • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid octadecyl ester
    • RefChem:789008
    • 2082-79-3
    • Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    • Antioxidant 1076
    • octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
    • Tominokusu SS
    • Naugard 76
    • Ralox 530
    • Sumilizer BP 76
    • Ultranox 276
    • Irganox 1906
    • Irganox 1976
    • Irganox L 107
    • MFCD00017498
    • Irganox I 1076
    • ADK Stab AO 50
    • Anox PP 18
    • Mark AO 50
    • Octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
    • C35H62O3
    • AO 4
    • PLASTIC ADDITIVE 4
    • Stearyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
    • IR 1076
    • Octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
    • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester
    • E 376
    • U 276
    • I 1076
    • Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, octadecyl ester
    • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,octadecyl ester
    • Octadecyl 3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate
    • octadecyl di-t-butyl-4-hydroxyhydrocinnamate
    • Octadecyl 3,5-di-t-butyl-4-hydroxyhydrocinnamate
    • Octadecyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate
    • Octadecyl 3-?(3,?5-?Di-?tert-?butyl-?4-?hydroxyphenyl)?propionate
    • HSDB 5865
    • EINECS 218-216-0
    • Lowinox PO35
    • octadecyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    • Stearyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    • Plastic additive 11 CRS
    • SCHEMBL18856
    • Irganox 1076, 98%
    • BIDD:ER0412
    • UNII-V88J661G2P
    • SCHEMBL8906200
    • SCHEMBL9339261
    • DTXSID8027456
    • SSDSCDGVMJFTEQ-UHFFFAOYSA-
    • MSK3118
    • octadecyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate
    • Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester
    • n-octadecyl (3-[3,5-di-tert-butyl-4-hydroxyphenyl]propionate)
    • n-octadecyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    • beta-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid octadecyl ester
    • PLASTIC ADDITIVE 4 [USP-RS]
    • Stearyl 3-(4-hydroxy-3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    • AKOS015890027
    • FO33345
    • AC-15275
    • AS-12172
    • MSK3118-1000
    • SY051937
    • CS-0152197
    • D1644
    • NS00003190
    • ST50997267
    • Irganox 1076 100 microg/mL in Acetonitrile
    • D70534
    • EC 218-216-0
    • F694917
    • octadecyl 3,5-di-t-butyl-4-hydroxy-hydrocinnamate
    • octadecyl-3,5-di-t-butyl-4-hydroxyhydrocinnamate
    • Antioxidant 1076 Solution in Hexane, 1000?g/mL
    • Octadecyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate
    • 2,6-di-tert-butyl-4-(octadecanoxycarbonylethyl)phenol
    • n-octadecyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
    • octadecyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate
    • Q27291662
    • stearyl 3-(4-hydroxy-3,5-di-t-butylphenyl)propionate
    • octadecyl 3-(3,5-di-t-butyl-4-hydroxyphenyl)propionate
    • STEARYL 3,5-DI-TERT-BUTYL-4-HYDROXHYDROCINNAMATE
    • 2,6-Di-tert-butyl-4-[(2-octadecyloxycarbonyl)ethyl]phenol
    • OCTADECYL 3,5-DI-TERT-BUTYL-4-OXYPHENYLPROPIONATE
    • Octadecyl 3-(3,5-di-t-butyl-4-hydroxyphenyl) propionate
    • Octadecyl 3-(3,5-di-tertbutyl-4-hydroxyphenyl)-propionate
    • Octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate #
    • Octadecyl-3(3',5'-di-t-butyl-4'-hydroxyphenyl)propionate
    • n-octadecyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    • octadecyl 3-[3,5-bis(tert-butyl)-4-hydroxyphenyl]propanoate
    • octadecyl-3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate
    • Stearyl .beta.-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
    • 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic Acid Stearyl Ester
    • n-octadecyl-3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate
    • Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate, 99%
    • Plastic additive 11, European Pharmacopoeia (EP) Reference Standard
    • 3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLPROPIONIC ACID OCTADECYL ESTER
    • 3-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionic acid stearyl ester
    • 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENOL)PROPIONIC ACID OCTADECYL ESTER
    • 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONIC ACID OCTADECYL ESTER
    • OCTADECYL .BETA.-(4'-HYDROXY-3',5'-DI-TERT-BUTYLPHENYL)PROPIONATE
    • OCTADECYL .BETA.-(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)PROPIONATE
    • Plastic additive 4, United States Pharmacopeia (USP) Reference Standard
    • STEARYL 3-(4-HYDROXY-3,5-DI-TERT-BUTYL-4- HYDROXYPHENYL)PROPIONATE
    • 3,5-bis (1,1-dimethylethyl)-4-hydroxy benzenepropanoic acid, octadecyl ester
    • HYDROCINNAMIC ACID, 3,5-DI-T-BUTYL-4-HYDROXY-, OCTADECYL ESTER [HSDB]
    • OCTADECYL 3-(3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYBENZENE)PROPIONATE
    • 218-216-0
    • InChI=1/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3
    • 2082-79-3

  • Applications

    The chemical name Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate (CAS 2082-79-3) is used mainly as a lipophilic antioxidant and processing stabilizer for organic materials. In polymers and plastics, it acts as a secondary antioxidant to slow thermo-oxidative degradation during processing and end-use. It is used in coatings and inks to improve weathering resistance and color stability, and in adhesives and sealants as a stabilizing additive. Its long octadecyl chain enhances compatibility with oil- or wax-rich formulations, and it is sometimes evaluated for use in cosmetics/personal care formulations that rely on lipophilic stabilization. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 181.63
    methanol 102.71
    isopropanol 142.19
    water 0.3
    ethyl acetate 265.07
    n-propanol 207.57
    acetone 376.22
    n-butanol 167.65
    acetonitrile 92.22
    DMF 370.07
    toluene 183.72
    isobutanol 172.6
    1,4-dioxane 338.88
    methyl acetate 202.99
    THF 998.91
    2-butanone 412.41
    n-pentanol 186.27
    sec-butanol 186.8
    n-hexane 49.28
    ethylene glycol 8.33
    NMP 597.18
    cyclohexane 81.98
    DMSO 343.83
    n-butyl acetate 287.23
    n-octanol 141.49
    chloroform 759.04
    n-propyl acetate 328.48
    acetic acid 157.94
    dichloromethane 691.93
    cyclohexanone 752.97
    propylene glycol 33.36
    isopropyl acetate 237.26
    DMAc 548.17
    2-ethoxyethanol 223.6
    isopentanol 147.16
    n-heptane 34.2
    ethyl formate 170.1
    1,2-dichloroethane 446.17
    n-hexanol 127.88
    2-methoxyethanol 188.15
    isobutyl acetate 281.48
    tetrachloromethane 147.31
    n-pentyl acetate 468.66
    transcutol 462.03
    n-heptanol 161.7
    ethylbenzene 141.02
    MIBK 237.67
    2-propoxyethanol 205.15
    tert-butanol 149.35
    MTBE 206.59
    2-butoxyethanol 289.56
    propionic acid 169.54
    o-xylene 110.49
    formic acid 30.5
    diethyl ether 203.75
    m-xylene 116.01
    p-xylene 205.13
    chlorobenzene 283.28
    dimethyl carbonate 95.12
    n-octane 24.55
    formamide 58.54
    cyclopentanone 795.83
    2-pentanone 339.33
    anisole 211.83
    cyclopentyl methyl ether 391.61
    gamma-butyrolactone 679.41
    1-methoxy-2-propanol 195.66
    pyridine 448.48
    3-pentanone 291.12
    furfural 391.13
    n-dodecane 12.41
    diethylene glycol 64.86
    diisopropyl ether 76.87
    tert-amyl alcohol 186.82
    acetylacetone 362.86
    n-hexadecane 14.56
    acetophenone 276.13
    methyl propionate 232.6
    isopentyl acetate 292.94
    trichloroethylene 732.66
    n-nonanol 142.1
    cyclohexanol 233.38
    benzyl alcohol 182.97
    2-ethylhexanol 121.92
    isooctanol 157.14
    dipropyl ether 188.54
    1,2-dichlorobenzene 260.19
    ethyl lactate 131.34
    propylene carbonate 376.28
    n-methylformamide 152.91
    2-pentanol 125.62
    n-pentane 33.27
    1-propoxy-2-propanol 215.89
    1-methoxy-2-propyl acetate 247.25
    2-(2-methoxypropoxy) propanol 178.05
    mesitylene 76.18
    ε-caprolactone 612.56
    p-cymene 90.24
    epichlorohydrin 690.4
    1,1,1-trichloroethane 478.44
    2-aminoethanol 44.98
    morpholine-4-carbaldehyde 398.98
    sulfolane 791.45
    2,2,4-trimethylpentane 21.66
    2-methyltetrahydrofuran 590.17
    n-hexyl acetate 409.17
    isooctane 12.56
    2-(2-butoxyethoxy)ethanol 259.38
    sec-butyl acetate 240.54
    tert-butyl acetate 279.6
    decalin 42.83
    glycerin 34.87
    diglyme 491.58
    acrylic acid 106.34
    isopropyl myristate 139.86
    n-butyric acid 281.33
    acetyl acetate 160.74
    di(2-ethylhexyl) phthalate 136.77
    ethyl propionate 250.49
    nitromethane 258.49
    1,2-diethoxyethane 281.95
    benzonitrile 194.08
    trioctyl phosphate 108.12
    1-bromopropane 333.3
    gamma-valerolactone 884.85
    n-decanol 89.94
    triethyl phosphate 122.31
    4-methyl-2-pentanol 83.28
    propionitrile 136.96
    vinylene carbonate 302.11
    1,1,2-trichlorotrifluoroethane 327.3
    DMS 185.5
    cumene 99.86
    2-octanol 146.45
    2-hexanone 371.98
    octyl acetate 182.07
    limonene 125.32
    1,2-dimethoxyethane 407.85
    ethyl orthosilicate 131.83
    tributyl phosphate 113.07
    diacetone alcohol 242.68
    N,N-dimethylaniline 172.74
    acrylonitrile 122.78
    aniline 160.6
    1,3-propanediol 84.63
    bromobenzene 306.88
    dibromomethane 495.13
    1,1,2,2-tetrachloroethane 669.08
    2-methyl-cyclohexyl acetate 244.17
    tetrabutyl urea 169.34
    diisobutyl methanol 75.78
    2-phenylethanol 154.31
    styrene 160.86
    dioctyl adipate 211.32
    dimethyl sulfate 173.73
    ethyl butyrate 249.73
    methyl lactate 100.19
    butyl lactate 291.45
    diethyl carbonate 141.19
    propanediol butyl ether 216.63
    triethyl orthoformate 204.35
    p-tert-butyltoluene 83.66
    methyl 4-tert-butylbenzoate 302.14
    morpholine 457.9
    tert-butylamine 92.47
    n-dodecanol 61.03
    dimethoxymethane 265.2
    ethylene carbonate 298.27
    cyrene 234.23
    2-ethoxyethyl acetate 407.89
    2-ethylhexyl acetate 255.47
    1,2,4-trichlorobenzene 307.94
    4-methylpyridine 424.52
    dibutyl ether 206.43
    2,6-dimethyl-4-heptanol 75.78
    DEF 308.7
    dimethyl isosorbide 375.37
    tetrachloroethylene 394.59
    eugenol 240.12
    triacetin 332.42
    span 80 221.77
    1,4-butanediol 53.21
    1,1-dichloroethane 419.15
    2-methyl-1-pentanol 175.05
    methyl formate 123.17
    2-methyl-1-butanol 167.85
    n-decane 30.13
    butyronitrile 168.03
    3,7-dimethyl-1-octanol 109.64
    1-chlorooctane 127.27
    1-chlorotetradecane 39.92
    n-nonane 29.23
    undecane 17.86
    tert-butylcyclohexane 37.35
    cyclooctane 26.69
    cyclopentanol 275.09
    tetrahydropyran 592.23
    tert-amyl methyl ether 179.13
    2,5,8-trioxanonane 270.55
    1-hexene 152.66
    2-isopropoxyethanol 200.34
    2,2,2-trifluoroethanol 61.28
    methyl butyrate 351.83

    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