1-Butoxy-2-propanol

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  • Identifiers

    CAS number
    5131-66-8

    Molecular formula
    C7H16O2

    SMILES
    CCCCOCC(C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Alcoholic 63.45%
    Fruity 62.13%
    Ethereal 61.44%
    Fermented 51.16%
    Sweet 50.1%
    Oily 47.83%
    Solvent 42.83%
    Winey 35.05%
    Pungent 32.71%
    Musty 31.95%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.93 (neutral)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 171 °C

    Flash point est.
    65.63 ˚C

    Flash point expt.

    • 63 °C c.c.

    Solubility expt.

    • Solubility in water, g/100ml: 6 (moderate)

  • Synonyms

    • 1-Butoxy-2-propanol
    • 1-Butoxypropan-2-ol
    • 5131-66-8
    • 2-PROPANOL, 1-BUTOXY-
    • n-Butoxypropanol
    • 2-Hydroxy-3-butoxypropane
    • Propasol solvent B
    • Propylene glycol n-butyl ether
    • 1,2-Propylene glycol 1-monobutyl ether
    • UNII-K0MR13CZ2E
    • NSC 2211
    • EINECS 225-878-4
    • K0MR13CZ2E
    • BRN 1733910
    • propylene glycol 1-butyl ether
    • DTXSID8027589
    • SOLVENON PNB
    • AI3-18549
    • Propylene Glycol 1-Monobutyl Ether
    • NSC-2211
    • Propanol, 1(or 2)-butoxy-
    • DTXCID707589
    • RWNUSVWFHDHRCJ-UHFFFAOYSA-
    • EC 225-878-4
    • 4-01-00-02471 (Beilstein Handbook Reference)
    • 1-METHYL-3-OXA-1-HEPTANOL
    • n-Butoxy-2-propanol
    • Propyleneglycol butyl ether
    • nButoxypropanol
    • nButoxy2propanol
    • 1Butoxy2propanol
    • 1Butoxypropan2ol
    • 2Propanol, 1butoxy
    • MFCD00021904
    • 2Hydroxy3butoxypropane
    • SCHEMBL15902
    • WLN: QY1&1O4
    • CHEMBL1903014
    • NSC2211
    • Tox21_200680
    • 1,2Propylene glycol 1monobutyl ether
    • AKOS009158796
    • NCGC00163821-01
    • NCGC00163821-02
    • NCGC00163821-03
    • NCGC00258234-01
    • CAS-5131-66-8
    • DB-221789
    • B0864
    • CS-0199145
    • NS00003643
    • F71173
    • EN300-7086325
    • Q24762634

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6560.03
    methanol 10114.14
    isopropanol 4464.12
    water 28.24
    ethyl acetate 967.99
    n-propanol 4603.8
    acetone 1910.73
    n-butanol 4156.14
    acetonitrile 1406.73
    DMF 1661.62
    toluene 234.29
    isobutanol 2795.39
    1,4-dioxane 2251.65
    methyl acetate 903.85
    THF 2725.05
    2-butanone 1115.13
    n-pentanol 2003.99
    sec-butanol 3208.01
    n-hexane 400.28
    ethylene glycol 1692.38
    NMP 981.54
    cyclohexane 584.55
    DMSO 2387.01
    n-butyl acetate 1207.49
    n-octanol 736.68
    chloroform 2389.66
    n-propyl acetate 741.6
    acetic acid 4583.49
    dichloromethane 1744.15
    cyclohexanone 1669.39
    propylene glycol 2065.52
    isopropyl acetate 549.9
    DMAc 848.18
    2-ethoxyethanol 2003.1
    isopentanol 2343.39
    n-heptane 347.22
    ethyl formate 1040.37
    1,2-dichloroethane 1032.31
    n-hexanol 2403.11
    2-methoxyethanol 3864.81
    isobutyl acetate 470.47
    tetrachloromethane 558.18
    n-pentyl acetate 523.78
    transcutol 3347.17
    n-heptanol 749.0
    ethylbenzene 160.96
    MIBK 447.47
    2-propoxyethanol 2247.26
    tert-butanol 3718.12
    MTBE 1364.42
    2-butoxyethanol 1077.18
    propionic acid 2362.83
    o-xylene 180.34
    formic acid 1884.29
    diethyl ether 1373.76
    m-xylene 168.03
    p-xylene 243.17
    chlorobenzene 440.96
    dimethyl carbonate 166.94
    n-octane 85.18
    formamide 1323.22
    cyclopentanone 1347.46
    2-pentanone 930.97
    anisole 377.92
    cyclopentyl methyl ether 1111.48
    gamma-butyrolactone 1342.02
    1-methoxy-2-propanol 2126.83
    pyridine 1189.37
    3-pentanone 489.45
    furfural 1284.2
    n-dodecane 49.82
    diethylene glycol 1860.25
    diisopropyl ether 300.71
    tert-amyl alcohol 2543.81
    acetylacetone 631.68
    n-hexadecane 54.42
    acetophenone 343.63
    methyl propionate 580.29
    isopentyl acetate 909.67
    trichloroethylene 1657.81
    n-nonanol 561.57
    cyclohexanol 2366.58
    benzyl alcohol 526.4
    2-ethylhexanol 1133.15
    isooctanol 540.14
    dipropyl ether 960.46
    1,2-dichlorobenzene 375.27
    ethyl lactate 415.53
    propylene carbonate 840.75
    n-methylformamide 1367.91
    2-pentanol 2018.36
    n-pentane 414.88
    1-propoxy-2-propanol 1687.83
    1-methoxy-2-propyl acetate 639.83
    2-(2-methoxypropoxy) propanol 604.73
    mesitylene 124.47
    ε-caprolactone 1332.43
    p-cymene 199.0
    epichlorohydrin 1309.46
    1,1,1-trichloroethane 915.76
    2-aminoethanol 2886.03
    morpholine-4-carbaldehyde 1340.32
    sulfolane 1360.45
    2,2,4-trimethylpentane 154.07
    2-methyltetrahydrofuran 2029.15
    n-hexyl acetate 720.06
    isooctane 102.99
    2-(2-butoxyethoxy)ethanol 1023.01
    sec-butyl acetate 422.98
    tert-butyl acetate 509.4
    decalin 135.01
    glycerin 2095.69
    diglyme 1645.18
    acrylic acid 1669.19
    isopropyl myristate 232.74
    n-butyric acid 3311.02
    acetyl acetate 517.67
    di(2-ethylhexyl) phthalate 241.79
    ethyl propionate 448.51
    nitromethane 2380.95
    1,2-diethoxyethane 935.39
    benzonitrile 632.36
    trioctyl phosphate 204.93
    1-bromopropane 878.62
    gamma-valerolactone 1677.29
    n-decanol 374.62
    triethyl phosphate 246.98
    4-methyl-2-pentanol 745.76
    propionitrile 1265.16
    vinylene carbonate 741.39
    1,1,2-trichlorotrifluoroethane 1628.22
    DMS 311.83
    cumene 137.16
    2-octanol 457.1
    2-hexanone 783.42
    octyl acetate 315.31
    limonene 406.54
    1,2-dimethoxyethane 2209.6
    ethyl orthosilicate 287.55
    tributyl phosphate 262.43
    diacetone alcohol 709.0
    N,N-dimethylaniline 257.6
    acrylonitrile 1151.73
    aniline 656.32
    1,3-propanediol 3411.63
    bromobenzene 348.88
    dibromomethane 1318.06
    1,1,2,2-tetrachloroethane 1505.22
    2-methyl-cyclohexyl acetate 484.12
    tetrabutyl urea 293.25
    diisobutyl methanol 472.97
    2-phenylethanol 559.37
    styrene 222.46
    dioctyl adipate 360.98
    dimethyl sulfate 256.54
    ethyl butyrate 682.03
    methyl lactate 458.89
    butyl lactate 513.63
    diethyl carbonate 361.67
    propanediol butyl ether 1057.86
    triethyl orthoformate 513.4
    p-tert-butyltoluene 189.44
    methyl 4-tert-butylbenzoate 358.78
    morpholine 2970.95
    tert-butylamine 2365.82
    n-dodecanol 267.32
    dimethoxymethane 804.02
    ethylene carbonate 727.41
    cyrene 460.48
    2-ethoxyethyl acetate 504.97
    2-ethylhexyl acetate 672.29
    1,2,4-trichlorobenzene 450.94
    4-methylpyridine 941.44
    dibutyl ether 673.37
    2,6-dimethyl-4-heptanol 472.97
    DEF 972.89
    dimethyl isosorbide 696.79
    tetrachloroethylene 1329.18
    eugenol 406.4
    triacetin 538.44
    span 80 747.48
    1,4-butanediol 1320.56
    1,1-dichloroethane 1155.5
    2-methyl-1-pentanol 1283.7
    methyl formate 826.58
    2-methyl-1-butanol 2220.2
    n-decane 98.32
    butyronitrile 1711.66
    3,7-dimethyl-1-octanol 638.76
    1-chlorooctane 304.8
    1-chlorotetradecane 104.17
    n-nonane 110.49
    undecane 65.47
    tert-butylcyclohexane 142.89
    cyclooctane 127.24
    cyclopentanol 2390.2
    tetrahydropyran 2631.25
    tert-amyl methyl ether 815.98
    2,5,8-trioxanonane 971.98
    1-hexene 900.67
    2-isopropoxyethanol 1176.18
    2,2,2-trifluoroethanol 944.03
    methyl butyrate 802.53

    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