1-Methoxy-4-Methylbenzene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    104-93-8

    Molecular formula
    C8H10O

    SMILES
    CC1=CC=C(C=C1)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1019.5
    • Carbowax: 1422.5

  • Odor profile

    Floral 72.57%
    Sweet 71.91%
    Anisic 61.3%
    Nutty 57.82%
    Phenolic 56.86%
    Green 52.46%
    Earthy 49.33%
    Herbal 38.61%
    Hawthorn 36.43%
    Powdery 35.63%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -32 °C

    Boiling point

    • 175.5 °C AT 760 MM HG
    • 175.50 °C. @ 760.00 mm Hg

    Flash point est.
    50.84 ˚C

    Flash point expt.

    • 60 °C

    Solubility expt.

    • INSOL IN WATER; SOL IN ETHER, ETHANOL, AND CHLOROFORM.
    • 1:3 IN 80% ALCOHOL, 1:7 IN 70% ALCOHOL
    • Insoluble in water, soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • 4-Methylanisole
    • 1-METHOXY-4-METHYLBENZENE
    • 104-93-8
    • p-Methylanisole
    • 4-Methoxytoluene
    • p-Methoxytoluene
    • Benzene, 1-methoxy-4-methyl-
    • p-Cresol methyl ether
    • p-Cresyl methyl ether
    • p-methyl anisole
    • Anisole, p-methyl-
    • 4-Methyl anisole
    • Methyl p-cresol
    • Methyl p-tolyl ether
    • p-Tolyl methyl ether
    • para-Methylanisole
    • Methyl p-cresyl ether
    • 1-Methyl-4-methoxybenzene
    • 4-Methyl-1-methoxybenzene
    • 4-Methylphenol methyl ether
    • Methyl 4-methylphenyl ether
    • Methyl-para-cresol
    • para-Methoxytoluene
    • Methyl p-methylphenyl ether
    • para-Cresyl methyl ether
    • p-methylanisol
    • Toluene, 4-methoxy-
    • FEMA No. 2681
    • FEMA Number 2681
    • para-methyl anisole
    • 1-Methoxy-4-methyl-benzene
    • NSC 6254
    • HSDB 5363
    • 4-Methylanizole
    • EINECS 203-253-7
    • para-Methyl anisol
    • 10FAI0OR9W
    • 4-methylmethoxybenzene
    • DTXSID9026710
    • AI3-07621
    • NSC-6254
    • 4-CRESOL METHYL ETHER
    • P-METHYLANISOLE [FHFI]
    • CHEMBL154155
    • DTXCID306710
    • P-METHYL ANISOLE [FCC]
    • CHEBI:89728
    • EC 203-253-7
    • 1-METHOXY-4-METHYLBENZENE [HSDB]
    • 4-methylanisol
    • PARA-CRESOL DEUTEROMETHYL ETHER
    • MFCD00008413
    • UNII-10FAI0OR9W
    • pMethoxytoluene
    • pMethylanisole
    • 4Methoxytoluene
    • Methylparacresol
    • Methyl pcresol
    • paraMethylanisole
    • 4Methyl anisole
    • p- methylanisole
    • Anisole, pmethyl
    • paraMethoxytoluene
    • p-Methyl-Anisole
    • p-Methoxy toluene
    • 4-methoxy-toluene
    • Toluene, 4methoxy
    • Methyl ptolyl ether
    • pTolyl methyl ether
    • Methyl pcresyl ether
    • pCresol methyl ether
    • pCresyl methyl ether
    • 1Methyl4methoxybenzene
    • 4Methyl1methoxybenzene
    • paraCresyl methyl ether
    • 4-Methylanisole (MSO)
    • P- METHOXYTOLUENE
    • 4-Methylanisole, 99%
    • Benzene, 1methoxy4methyl
    • Methyl pmethylphenyl ether
    • 4Methylphenol methyl ether
    • Methyl 4methylphenyl ether
    • 1-methyoxy-4-methylbenzene
    • SCHEMBL12464
    • WLN: 1OR D1
    • SCHEMBL2489775
    • SCHEMBL12015216
    • FEMA 2681
    • NSC6254
    • LRB43136
    • 4-Methylanisole, analytical standard
    • Tox21_201081
    • BDBM50008555
    • STL268886
    • AKOS000121016
    • 4-Methylanisole, >=99%, FCC, FG
    • CS-W013551
    • HY-W012835
    • NCGC00248917-01
    • NCGC00258634-01
    • BS-23266
    • CAS-104-93-8
    • PD164982
    • M0149
    • NS00010202
    • EN300-16112
    • Q15726084
    • Z53834227
    • F0001-0094

  • Applications

    1-Methoxy-4-methylbenzene (CAS 104-93-8) is used both as a high-boiling aromatic solvent and as a versatile intermediate: a fragrance/flavor ingredient imparting sweet anisic, warm notes; a building block for pharmaceuticals, agrochemicals, antioxidants, UV absorbers, and dyes/pigments via electrophilic substitution, halogenation/nitration, side-chain oxidation to p-methoxybenzaldehyde (anisaldehyde), or demethylation to p-cresol; a process solvent for moisture-sensitive organic reactions; a probe substrate in catalysis research (O–CH3 bond cleavage and benzylic oxidations) and kinetics; and a diluent/viscosity modifier in specialty coatings, inks, and polymer formulations where moderate volatility and hydrophobicity are desired.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1315.82
    methanol 859.67
    isopropanol 863.1
    water 2.91
    ethyl acetate 1147.28
    n-propanol 1042.53
    acetone 347.94
    n-butanol 940.68
    acetonitrile 1267.88
    DMF 337.83
    toluene 559.58
    isobutanol 568.2
    1,4-dioxane 2409.71
    methyl acetate 796.66
    THF 896.17
    2-butanone 562.4
    n-pentanol 578.46
    sec-butanol 856.47
    n-hexane 84.82
    ethylene glycol 239.4
    NMP 158.77
    cyclohexane 214.24
    DMSO 457.56
    n-butyl acetate 474.33
    n-octanol 206.45
    chloroform 2694.62
    n-propyl acetate 342.57
    acetic acid 645.99
    dichloromethane 2231.72
    cyclohexanone 465.2
    propylene glycol 381.83
    isopropyl acetate 318.01
    DMAc 335.33
    2-ethoxyethanol 761.46
    isopentanol 490.64
    n-heptane 143.35
    ethyl formate 597.37
    1,2-dichloroethane 991.36
    n-hexanol 711.6
    2-methoxyethanol 1157.75
    isobutyl acetate 166.43
    tetrachloromethane 420.29
    n-pentyl acetate 184.48
    transcutol 1379.27
    n-heptanol 210.7
    ethylbenzene 228.94
    MIBK 159.98
    2-propoxyethanol 812.68
    tert-butanol 810.66
    MTBE 560.02
    2-butoxyethanol 361.77
    propionic acid 580.13
    o-xylene 243.5
    formic acid 214.96
    diethyl ether 1035.43
    m-xylene 231.6
    p-xylene 241.65
    chlorobenzene 460.62
    dimethyl carbonate 160.06
    n-octane 37.9
    formamide 432.16
    cyclopentanone 306.25
    2-pentanone 373.38
    anisole 469.1
    cyclopentyl methyl ether 377.38
    gamma-butyrolactone 461.18
    1-methoxy-2-propanol 696.47
    pyridine 1341.02
    3-pentanone 312.5
    furfural 585.89
    n-dodecane 28.5
    diethylene glycol 526.97
    diisopropyl ether 147.42
    tert-amyl alcohol 649.45
    acetylacetone 279.48
    n-hexadecane 31.78
    acetophenone 269.83
    methyl propionate 536.4
    isopentyl acetate 291.64
    trichloroethylene 1551.32
    n-nonanol 180.36
    cyclohexanol 537.39
    benzyl alcohol 386.87
    2-ethylhexanol 323.94
    isooctanol 141.06
    dipropyl ether 474.57
    1,2-dichlorobenzene 316.5
    ethyl lactate 139.62
    propylene carbonate 290.8
    n-methylformamide 422.7
    2-pentanol 505.1
    n-pentane 123.19
    1-propoxy-2-propanol 502.62
    1-methoxy-2-propyl acetate 362.17
    2-(2-methoxypropoxy) propanol 261.43
    mesitylene 109.95
    ε-caprolactone 501.05
    p-cymene 130.41
    epichlorohydrin 951.53
    1,1,1-trichloroethane 943.22
    2-aminoethanol 551.81
    morpholine-4-carbaldehyde 590.11
    sulfolane 274.83
    2,2,4-trimethylpentane 42.2
    2-methyltetrahydrofuran 913.3
    n-hexyl acetate 259.39
    isooctane 27.7
    2-(2-butoxyethoxy)ethanol 419.71
    sec-butyl acetate 189.51
    tert-butyl acetate 232.73
    decalin 63.55
    glycerin 386.14
    diglyme 826.14
    acrylic acid 387.1
    isopropyl myristate 104.57
    n-butyric acid 785.54
    acetyl acetate 403.24
    di(2-ethylhexyl) phthalate 93.05
    ethyl propionate 314.14
    nitromethane 772.63
    1,2-diethoxyethane 618.75
    benzonitrile 467.23
    trioctyl phosphate 60.59
    1-bromopropane 772.94
    gamma-valerolactone 636.08
    n-decanol 131.16
    triethyl phosphate 124.1
    4-methyl-2-pentanol 168.57
    propionitrile 994.23
    vinylene carbonate 373.87
    1,1,2-trichlorotrifluoroethane 585.33
    DMS 189.29
    cumene 120.24
    2-octanol 124.08
    2-hexanone 259.99
    octyl acetate 140.14
    limonene 185.93
    1,2-dimethoxyethane 977.13
    ethyl orthosilicate 134.67
    tributyl phosphate 75.42
    diacetone alcohol 255.83
    N,N-dimethylaniline 228.53
    acrylonitrile 919.49
    aniline 637.72
    1,3-propanediol 788.15
    bromobenzene 499.19
    dibromomethane 1523.91
    1,1,2,2-tetrachloroethane 1084.48
    2-methyl-cyclohexyl acetate 187.59
    tetrabutyl urea 94.39
    diisobutyl methanol 141.97
    2-phenylethanol 375.52
    styrene 319.33
    dioctyl adipate 145.57
    dimethyl sulfate 143.21
    ethyl butyrate 346.24
    methyl lactate 192.24
    butyl lactate 119.87
    diethyl carbonate 245.9
    propanediol butyl ether 225.93
    triethyl orthoformate 228.26
    p-tert-butyltoluene 126.02
    methyl 4-tert-butylbenzoate 181.76
    morpholine 2328.44
    tert-butylamine 550.46
    n-dodecanol 103.39
    dimethoxymethane 450.27
    ethylene carbonate 333.98
    cyrene 167.24
    2-ethoxyethyl acetate 309.83
    2-ethylhexyl acetate 242.17
    1,2,4-trichlorobenzene 382.67
    4-methylpyridine 889.04
    dibutyl ether 261.68
    2,6-dimethyl-4-heptanol 141.97
    DEF 426.16
    dimethyl isosorbide 343.99
    tetrachloroethylene 685.91
    eugenol 192.24
    triacetin 225.35
    span 80 230.25
    1,4-butanediol 257.72
    1,1-dichloroethane 1093.76
    2-methyl-1-pentanol 368.65
    methyl formate 260.64
    2-methyl-1-butanol 532.04
    n-decane 47.62
    butyronitrile 873.21
    3,7-dimethyl-1-octanol 176.79
    1-chlorooctane 152.02
    1-chlorotetradecane 57.28
    n-nonane 47.72
    undecane 35.37
    tert-butylcyclohexane 53.61
    cyclooctane 60.73
    cyclopentanol 383.18
    tetrahydropyran 1581.08
    tert-amyl methyl ether 355.01
    2,5,8-trioxanonane 536.03
    1-hexene 302.45
    2-isopropoxyethanol 419.58
    2,2,2-trifluoroethanol 179.24
    methyl butyrate 357.45

    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

Botanical

Name CAS Botanical Proportion
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 8.71%
Ylang Ylang (China) 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 2.41%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.01%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 1.47%
Lilac, White, Picked Flower Headspace 1 Syringa vulgaris L., fam. Oleaceae 2.09%
Lilac, White, Picked Flower Headspace 2 Syringa vulgaris L., fam. Oleaceae 2.0%
Lilac, Purple, Picked Flower Headspace 3 Syringa vulgaris L., fam. Oleaceae 2.63%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 20.54%
Valerian, Picked Flowers Valeriana officinalis L., fam. Valerianaceae 7.51%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 3.6%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 0.12%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.01%
Ylang Ylang 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 16.5%
Ylang Ylang 2a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 8.4%
Ylang Ylang 2b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 3.0%
Ylang Ylang 2c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 4.3%
Ylang Ylang 3 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 7.5%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 13.04%
Ylang Ylang (China) 2b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 2.89%
Narcissus tazetta headspace (China) 2 8023-75-4 Narcissus tazetta L. var chinensis Roem. f. florepleno, fam.Amaryllidaceae 8.07%
Narcissus tazetta headspace (China) 5 8023-75-4 Narcissus tazetta L. var. Dahuabai, fam. Amaryllidaceae 3.62%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 9.94%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 4.3%
Ylang Ylang (China) 3 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 11.55%
Ylang Ylang (Laos) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 2.08%
Ylang Ylang 5a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 8.47%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 3.0%
Ylang Ylang 5b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonacaea 5.75%
Ylang Ylang 5c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 1.19%
Ylang Ylang 5d 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.39%
Ylang Ylang (China) 4 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson, fam. Annonaceae 2.05%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.1%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.01%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.01%