4-Isopropylbenzyl alcohol

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  • Identifiers

    CAS number
    536-60-7

    Molecular formula
    C10H14O

    SMILES
    CC(C)C1=CC=C(C=C1)CO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1295.83
    • Carbowax: 2075.71

  • Odor profile

    Herbal 73.92%
    Spicy 68.47%
    Woody 47.14%
    Green 44.78%
    Phenolic 40.9%
    Floral 37.44%
    Earthy 36.72%
    Leathery 34.56%
    Balsamic 34.55%
    Fresh 33.98%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 28 °C

    Boiling point

    • 135.00 to 136.00 °C. @ 26.00 mm Hg

    Flash point est.
    112.77 ˚C

    Solubility expt.

    • slightly
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-isopropylbenzyl alcohol
    • 536-60-7
    • Cumic alcohol
    • Cuminol
    • (4-Isopropylphenyl)methanol
    • cuminyl alcohol
    • cuminic alcohol
    • Cumyl alcohol
    • p-Cymen-7-ol
    • CUMIN ALCOHOL
    • p-Isopropylbenzyl alcohol
    • p-cumic alcohol
    • Benzenemethanol, 4-(1-methylethyl)-
    • 4-(1-Methylethyl)benzenemethanol
    • Benzyl alcohol, p-isopropyl-
    • para-cymen-7-ol
    • (4-propan-2-ylphenyl)methanol
    • FEMA No. 2933
    • p-Cumin-7-ol
    • [4-(Propan-2-Yl)Phenyl]Methanol
    • NSC 15672
    • 4-(1-methylethyl)-benzenemethanol
    • EINECS 208-640-4
    • p-cymene-7-ol
    • BRN 0636665
    • DTXSID0021626
    • P-Mentha-1,3,5-trien-7-ol
    • AI3-20440
    • p-ISOPROPYL BENZYL ALCOHOL
    • V261W8XR62
    • 4-(1-methylethyl)benzene methanol
    • MFCD00004663
    • NSC-15672
    • CUMIC ALCOHOL [MI]
    • DTXCID301626
    • 4-ISOPROPYLBENZENEMETHANOL
    • CHEBI:27628
    • ISOPROPYLBENZYL ALCOHOL, P-
    • P-ISOPROPYLBENZYL ALCOHOL [FHFI]
    • Cuminylalcohol
    • (4-(propan-2-yl)phenyl)methanol
    • CAS-536-60-7
    • UNII-V261W8XR62
    • p-Cymen-7-ol, 8CI
    • 4-isopropyl-benzyl alcohol
    • p-Isopropyl-Benzyl alcohol
    • 4-Isopropyl benzyl alcohol
    • bmse000599
    • Cuminol ( p-cymen-7-ol)
    • SCHEMBL113930
    • (4-Isopropylphenyl)methanol #
    • WLN: Q1R DY1&1
    • CHEMBL3183500
    • 4-Isopropylbenzyl alcohol, 97%
    • FEMA 2933
    • OIGWAXDAPKFNCQ-UHFFFAOYSA-
    • HMS1789P06
    • AAA53660
    • HY-N7069
    • NSC15672
    • Tox21_202025
    • Tox21_302797
    • c0376
    • s5090
    • AKOS000121600
    • CCG-266208
    • CS-W018138
    • 4-(1-Methylethyl)benzenemethanol, 9CI
    • 4-Isopropylbenzyl alcohol, >=97%, FG
    • NCGC00249151-01
    • NCGC00256602-01
    • NCGC00259574-01
    • AS-59256
    • DA-62537
    • I0272
    • NS00012143
    • C06576
    • D97386
    • Q1143803
    • Z56347221
    • InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
    • 208-640-4

  • Applications

    4-Isopropylbenzyl alcohol (cuminalcohol, CAS 536-60-7) is used mainly as a synthetic intermediate: it can be esterified to give aromatic esters or carbonates used as additives and fragrance fixatives, etherified or converted to the corresponding benzyl halide (e.g., 4-isopropylbenzyl chloride) for preparing quaternary ammonium salts, surfactants and phase-transfer catalysts; it participates in selective oxidation/reduction sequences interconverting with cuminaldehyde and other benzyl derivatives to furnish building blocks for pharmaceuticals, dyes and agrochemicals; it also serves as a fragrance modifier in perfumes, soaps and household care due to its warm, slightly spicy, cumin-like note, helping adjust accords and improve substantivity; in research, it is a convenient model substrate for benzyl alcohol oxidation, transfer-hydrogenation and homogeneous/heterogeneous catalysis studies, and a hydrophobic benzyl unit for tethering onto polymers or surface-functional materials.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2917.88
    methanol 2309.29
    isopropanol 1913.38
    water 0.79
    ethyl acetate 3645.23
    n-propanol 2865.25
    acetone 3391.28
    n-butanol 2178.41
    acetonitrile 3637.5
    DMF 2357.11
    toluene 664.76
    isobutanol 1448.23
    1,4-dioxane 3360.0
    methyl acetate 2761.3
    THF 3549.87
    2-butanone 3051.26
    n-pentanol 1095.22
    sec-butanol 1492.87
    n-hexane 150.97
    ethylene glycol 245.25
    NMP 1616.26
    cyclohexane 198.0
    DMSO 2916.27
    n-butyl acetate 2107.56
    n-octanol 257.13
    chloroform 2838.95
    n-propyl acetate 1547.05
    acetic acid 1436.98
    dichloromethane 3384.57
    cyclohexanone 2368.29
    propylene glycol 425.75
    isopropyl acetate 1283.59
    DMAc 1098.11
    2-ethoxyethanol 1515.34
    isopentanol 1419.45
    n-heptane 81.56
    ethyl formate 1741.3
    1,2-dichloroethane 2878.76
    n-hexanol 1244.22
    2-methoxyethanol 2846.4
    isobutyl acetate 594.87
    tetrachloromethane 565.04
    n-pentyl acetate 531.34
    transcutol 4031.48
    n-heptanol 338.0
    ethylbenzene 282.05
    MIBK 814.2
    2-propoxyethanol 1883.08
    tert-butanol 1938.36
    MTBE 2019.07
    2-butoxyethanol 704.79
    propionic acid 1699.33
    o-xylene 311.53
    formic acid 462.07
    diethyl ether 3421.03
    m-xylene 379.65
    p-xylene 302.14
    chlorobenzene 955.79
    dimethyl carbonate 556.33
    n-octane 20.63
    formamide 1444.72
    cyclopentanone 3079.07
    2-pentanone 2398.62
    anisole 825.58
    cyclopentyl methyl ether 1754.89
    gamma-butyrolactone 3484.57
    1-methoxy-2-propanol 1642.34
    pyridine 2466.99
    3-pentanone 1781.7
    furfural 1979.68
    n-dodecane 9.74
    diethylene glycol 815.57
    diisopropyl ether 505.02
    tert-amyl alcohol 1441.14
    acetylacetone 1455.95
    n-hexadecane 11.99
    acetophenone 562.49
    methyl propionate 2298.3
    isopentyl acetate 1201.27
    trichloroethylene 4032.04
    n-nonanol 211.3
    cyclohexanol 1077.47
    benzyl alcohol 576.73
    2-ethylhexanol 567.91
    isooctanol 262.09
    dipropyl ether 1118.64
    1,2-dichlorobenzene 724.36
    ethyl lactate 355.82
    propylene carbonate 1386.62
    n-methylformamide 2816.68
    2-pentanol 1246.57
    n-pentane 158.84
    1-propoxy-2-propanol 1311.86
    1-methoxy-2-propyl acetate 1296.82
    2-(2-methoxypropoxy) propanol 416.8
    mesitylene 219.06
    ε-caprolactone 2043.43
    p-cymene 163.18
    epichlorohydrin 3644.74
    1,1,1-trichloroethane 1966.37
    2-aminoethanol 915.08
    morpholine-4-carbaldehyde 1917.21
    sulfolane 2564.41
    2,2,4-trimethylpentane 65.8
    2-methyltetrahydrofuran 3135.38
    n-hexyl acetate 605.93
    isooctane 56.6
    2-(2-butoxyethoxy)ethanol 755.43
    sec-butyl acetate 747.3
    tert-butyl acetate 1053.83
    decalin 69.96
    glycerin 424.45
    diglyme 1737.56
    acrylic acid 1080.38
    isopropyl myristate 156.93
    n-butyric acid 2412.45
    acetyl acetate 870.33
    di(2-ethylhexyl) phthalate 139.42
    ethyl propionate 1173.54
    nitromethane 3667.76
    1,2-diethoxyethane 1772.27
    benzonitrile 835.85
    trioctyl phosphate 112.74
    1-bromopropane 1404.03
    gamma-valerolactone 3173.84
    n-decanol 137.71
    triethyl phosphate 250.21
    4-methyl-2-pentanol 455.52
    propionitrile 2540.52
    vinylene carbonate 1192.26
    1,1,2-trichlorotrifluoroethane 1620.2
    DMS 467.12
    cumene 163.87
    2-octanol 184.38
    2-hexanone 1320.13
    octyl acetate 206.43
    limonene 295.78
    1,2-dimethoxyethane 2389.3
    ethyl orthosilicate 272.49
    tributyl phosphate 171.6
    diacetone alcohol 1021.2
    N,N-dimethylaniline 366.71
    acrylonitrile 2543.57
    aniline 1219.57
    1,3-propanediol 1338.75
    bromobenzene 873.64
    dibromomethane 2156.64
    1,1,2,2-tetrachloroethane 2728.46
    2-methyl-cyclohexyl acetate 444.82
    tetrabutyl urea 188.05
    diisobutyl methanol 274.66
    2-phenylethanol 630.68
    styrene 418.81
    dioctyl adipate 230.92
    dimethyl sulfate 681.11
    ethyl butyrate 1190.09
    methyl lactate 500.15
    butyl lactate 370.95
    diethyl carbonate 570.24
    propanediol butyl ether 459.11
    triethyl orthoformate 593.75
    p-tert-butyltoluene 157.18
    methyl 4-tert-butylbenzoate 323.55
    morpholine 4516.46
    tert-butylamine 1306.31
    n-dodecanol 92.16
    dimethoxymethane 1934.6
    ethylene carbonate 1106.61
    cyrene 385.97
    2-ethoxyethyl acetate 826.15
    2-ethylhexyl acetate 894.36
    1,2,4-trichlorobenzene 826.21
    4-methylpyridine 2001.7
    dibutyl ether 499.66
    2,6-dimethyl-4-heptanol 274.66
    DEF 2162.72
    dimethyl isosorbide 779.65
    tetrachloroethylene 1831.87
    eugenol 326.89
    triacetin 414.49
    span 80 339.85
    1,4-butanediol 366.54
    1,1-dichloroethane 2419.26
    2-methyl-1-pentanol 782.25
    methyl formate 1524.07
    2-methyl-1-butanol 1386.8
    n-decane 22.42
    butyronitrile 2224.84
    3,7-dimethyl-1-octanol 281.49
    1-chlorooctane 162.08
    1-chlorotetradecane 42.03
    n-nonane 24.05
    undecane 13.86
    tert-butylcyclohexane 72.93
    cyclooctane 58.5
    cyclopentanol 1179.15
    tetrahydropyran 3643.24
    tert-amyl methyl ether 1123.24
    2,5,8-trioxanonane 771.56
    1-hexene 651.67
    2-isopropoxyethanol 838.07
    2,2,2-trifluoroethanol 363.33
    methyl butyrate 1545.88

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.45 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.8 %
Category 2
Products applied to the axillae
 0.14 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.8 %
Category 3
Products applied to the face/body using fingertips
 0.4 % Category 8
Products with significant anogenital exposure
 0.21 %
Category 4
Products related to fine fragrance
 2.5 % Category 9
Products with body and hand exposure, primarily rinse off
 2 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.64 % Category 10A
Household care products with mostly hand contact
 2 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.64 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 4.8 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.64 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.21 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.21 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.21 %
Category 6
Products with oral and lip exposure
 1.5 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.15%
Angelica root (Finland) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.02%
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 0.02%
Bergamot (Italy) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.01%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.25%
Cedarleaf 3 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.08%
Spike lavender (Spain) 3 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.2%
Cumin (Pakistan) 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 5.45%
Nutmeg (India) 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.01%
Pinus pinaster (Portugal) 1 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Savory, winter (France) 90106-57-3 Satureja montana L., fam. Lamiaceae (Labiatae) 0.5%
Satureja cuneifolia (Turkey) Satureja cuneifolia Ten. (S. pisidica Wettst.), fam. Lamiaceae (Labiatae) 0.17%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Thyme (Italy) 1 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.04%
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.18%
Artemisia judaica (Egypt) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.09%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.19%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Artemisia persica (India) Artemisia persica Boiss., fam. Asteraceae (Compositae) 0.53%
Santolina chamaecyparisus (France) 3 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.07%
Cumin (Turkey) 1 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.5%
Cumin (Turkey) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.38%
Cumin (Turkey) 3 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.51%
Cumin (Turkey) 4 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.53%
Cumin (Turkey) 5 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.46%
Cumin (Turkey) 6 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 2.21%
Cumin (Egypt) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.54%
Cumin (India) 2 8014-30-9 Cuminum cyminum L., fam. Apiaceae (Umbelliferae) 0.21%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.14%
Pistacia lentiscus (Israel) 1b leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Pistacia lentiscus (Israel) 1a fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Mandarin (Italy) 5 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Spike lavender (Spain) 4 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.01%
Oregano, spanish (Italy) 4 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.21%
Achillea biebersteinii (Turkey) 1 Achillea biebersteinii Afan., fam. Asteraceae (Compositae) 0.15%
Caraway seed (Egypt) 8008-42-8 Carum carvi L., fam. Apiaceae (Umbelliferae) 0.02%
Artemisia molinieri Artemisia molinieri Quezel, Barbero et R. Loisel, fam. Asteraceae (Compos) 0.35%
Conyza pinnata (Zimbabwe) Conyza pinnata (Kuntz), fam. Asteraceae (Compositae) 23.2%
Origanum solymicum (Turkey) Origanum solymicum P.H. Davis, fam. Lamiaceae (Labiatae) 0.36%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.3%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.7%
Origanum syriacum (Turkey) 2 Origanum syriacum L. var. bevanii (Holmes) Ietswaart, fam. Lamiaceae 0.02%
Lilac, White, Picked Flower Headspace 1 Syringa vulgaris L., fam. Oleaceae 0.12%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Neroli bigarade (bitter orange flower) China 3 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.1%
Cedarleaf (Japan) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.08%
Abies fragesii Abies fragesii Franch, fam. Pinaceae 0.28%
Artemisia aksaiensis (China) Artemisia aksaiensis Y.R. Ling, fam. Asteraceae (Compositae) 0.41%
Artemisia anethoides (China) Artemisia anethoides Mattf., fam. Asteraceae (Compositae) 0.74%