1-Pentanol

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  • Identifiers

    CAS number
    71-41-0

    Molecular formula
    C5H12O

    SMILES
    CCCCCO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 771.29
    • Carbowax: 1252.86

  • Odor profile

    Fragrance
    Sweet 79.45%
    Alcoholic 78.23%
    Fermented 77.75%
    Oily 71.94%
    Solvent 66.01%
    Winey 64.07%
    Ethereal 63.71%
    Fruity 63.7%
    Pungent 54.68%
    Musty 50.49%

     

    Flavor
    Sweet 78.18%
    Fusel 64.66%
    Alcoholic 54.49%
    Oil 54.22%
    Balsam 47.87%
    Vanilla 44.59%
    Fruity 40.33%
    Alcohol 39.75%
    Ethereal 39.26%
    Wine 38.67%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.12 [mmHg]. Odor Threshold High: 20.03 [mmHg]. [Merck Index] Odor threshold low = 0.4332 mg/m3
    • Odor low: .4332 mg/cu m; Odor high: 72.2 mg/cu m
    • Odor perception threshold is 0.12 or 0.7 mg/L; taste threshold concentration is 0.5 mg/L. According to other data, odor threshold concentration is 1.3 mg/L, and the taste threshold slightly higher.

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.13 (weak base)

    Molecular weight
    88.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -110 °F (NTP, 1992)
    • -79 °C
    • -78.9 °C

    Boiling point

    • 280 °F at 760 mmHg (NTP, 1992)
    • 137.5 °C
    • 136.00 to 138.00 °C. @ 760.00 mm Hg
    • 138 °C

    Flash point

    • 44.04 ˚C est.
    • 91 °F (NTP, 1992)
    • 38 °C
    • 91 °F (33 °C) (CLOSED CUP)
    • 43 °C c.c.

    Solubility expt.

    • 10 to 50 mg/mL at 63 °F (NTP, 1992)
    • Miscible with alcohol, ether
    • Sol in acetone
    • MISCIBLE WITH MOST ORG SOLVENTS
    • In water, 22,000 mg/L at 25 °C
    • 22 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 2.2 (moderate)
    • miscible with alcohol

  • Synonyms

    • 1-Pentanol
    • Pentan-1-ol
    • 71-41-0
    • Amyl alcohol
    • Pentanol
    • N-Amyl alcohol
    • n-Pentanol
    • Pentyl alcohol
    • Butylcarbinol
    • N-PENTYL ALCOHOL
    • Pentasol
    • 1-Pentyl alcohol
    • Amylol
    • n-Butylcarbinol
    • Pentanol-1
    • Alcool amylique
    • Butyl carbinol
    • n-Amylalkohol
    • n-Pentan-1-ol
    • Amylalkohol
    • Primary amyl alcohol
    • Pentanol (VAN)
    • Amyl alcohol, normal
    • Petan-1-ol
    • 30899-19-5
    • Pentylalkohol
    • pentyl-alcohol
    • n-Amylalkohol [Czech]
    • n-pentyl-alcohol
    • Amyl alcohol (natural)
    • FEMA Number 2056
    • Alcool amylique [French]
    • Amyl alcohol, n-
    • UN1105
    • FEMA No. 2056
    • Pentalcohol
    • HSDB 111
    • amyl-alcohol
    • Valeric alcohol
    • NSC 5707
    • EINECS 200-752-1
    • MFCD00002977
    • UNII-M9L931X26Y
    • BRN 1730975
    • DTXSID6021741
    • CHEBI:44884
    • AI3-01293
    • Primary-N-amyl alcohol
    • NSC-5707
    • n-Pentyl--d9 Alcohol
    • 1-PENTANOL [MI]
    • n-C5H11OH
    • AMYL ALCOHOL [FHFI]
    • Pentanols [UN1105] [Flammable liquid]
    • 1-PENTANOL [USP-RS]
    • DTXCID101741
    • N-PENTYL ALCOHOL [HSDB]
    • EC 200-752-1
    • M9L931X26Y
    • 4-01-00-01640 (Beilstein Handbook Reference)
    • N-amylalkohol (czech)
    • Alcool amylique (french)
    • n-butyl carbinol
    • 1-PENTANOL (USP-RS)
    • Pentanols
    • 1-PENTANOL (AMYL ALCOHOL)
    • 1-PENTANOL {AMYL ALCOHOL}
    • 148587-12-6
    • Pentan-1-ol; 1-Pentanol; Pentanol; n-Pentanol
    • amylalcohol
    • pentylalcohol
    • nAmylalkohol
    • nButylcarbinol
    • n-pentylalcohol
    • nPentyl alcohol
    • l-pentanol
    • NAmyl alcohol
    • nPentan1ol
    • 1Pentyl alcohol
    • Pentanol1
    • Petan1ol
    • 1-amyl alcohol
    • C5 alcohol
    • Amyl alcohol normal
    • Amyl alcohol,primary
    • WLN: Q5
    • MLS002415674
    • CHEMBL14568
    • 1-AMYL ALCOHOL [FCC]
    • Amyl alcohol, >=99%, FG
    • 1-Pentanol, analytical standard
    • N-AMYL ALCOHOL, PRIMARY
    • BDBM22603
    • NSC5707
    • CHEBI:143597
    • 1-Pentanol, p.a., 98.0%
    • HMS3039G16
    • HY-B1499
    • IGA77885
    • Tox21_201107
    • 1-Pentanol, ACS reagent, >=99%
    • LMFA05000112
    • STL282712
    • AKOS009031407
    • 1-Pentanol, ReagentPlus(R), >=99%
    • CAS-71-41-0
    • NCGC00091726-01
    • NCGC00091726-02
    • NCGC00258659-01
    • PE9
    • SMR001370872
    • 1-Pentanol, SAJ first grade, >=97.0%
    • 1-Pentanol, SAJ special grade, >=99.0%
    • NS00002210
    • P0055
    • EN300-19332
    • Q151733
    • F0001-1831
    • 1-Pentanol, puriss. p.a., ACS reagent, >=99.0% (GC)
    • 1-Pentanol, United States Pharmacopeia (USP) Reference Standard
    • 1-Pentanol, Pharmaceutical Secondary Standard; Certified Reference Material
    • 250-378-8

  • Applications

    1-Pentanol (CAS 71-41-0) is commonly used as a solvent in paints, coatings, and inks, as well as in cleaning formulations; it is a key precursor for fragrance and flavor esters used in perfumery and flavor applications; it serves as an intermediate for plasticizers and plastic resin additives; it is used as a solvent in cosmetics and personal care formulations; and acts as a processing solvent in polymer and resin production.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2131.11
    methanol 2608.99
    isopropanol 1667.78
    water 4.37
    ethyl acetate 379.36
    n-propanol 1604.43
    acetone 753.7
    n-butanol 1527.74
    acetonitrile 433.92
    DMF 709.73
    toluene 94.19
    isobutanol 1035.31
    1,4-dioxane 784.07
    methyl acetate 359.77
    THF 1321.18
    2-butanone 464.29
    n-pentanol 730.85
    sec-butanol 1076.21
    n-hexane 144.3
    ethylene glycol 558.55
    NMP 552.99
    cyclohexane 139.23
    DMSO 1235.43
    n-butyl acetate 703.47
    n-octanol 320.4
    chloroform 880.95
    n-propyl acetate 317.95
    acetic acid 1193.22
    dichloromethane 579.49
    cyclohexanone 752.15
    propylene glycol 677.46
    isopropyl acetate 220.22
    DMAc 274.17
    2-ethoxyethanol 644.08
    isopentanol 921.02
    n-heptane 191.3
    ethyl formate 357.63
    1,2-dichloroethane 368.27
    n-hexanol 1287.74
    2-methoxyethanol 1320.14
    isobutyl acetate 208.99
    tetrachloromethane 246.67
    n-pentyl acetate 255.06
    transcutol 1276.49
    n-heptanol 425.46
    ethylbenzene 65.25
    MIBK 220.57
    2-propoxyethanol 1201.51
    tert-butanol 1535.78
    MTBE 509.3
    2-butoxyethanol 603.47
    propionic acid 863.66
    o-xylene 70.7
    formic acid 403.93
    diethyl ether 436.15
    m-xylene 80.57
    p-xylene 90.15
    chlorobenzene 205.82
    dimethyl carbonate 70.44
    n-octane 47.67
    formamide 339.04
    cyclopentanone 803.94
    2-pentanone 411.34
    anisole 154.72
    cyclopentyl methyl ether 477.03
    gamma-butyrolactone 811.82
    1-methoxy-2-propanol 868.88
    pyridine 504.22
    3-pentanone 206.23
    furfural 634.37
    n-dodecane 28.91
    diethylene glycol 811.74
    diisopropyl ether 122.71
    tert-amyl alcohol 844.56
    acetylacetone 304.94
    n-hexadecane 30.55
    acetophenone 144.27
    methyl propionate 259.85
    isopentyl acetate 479.19
    trichloroethylene 658.14
    n-nonanol 256.77
    cyclohexanol 805.08
    benzyl alcohol 205.57
    2-ethylhexanol 603.53
    isooctanol 308.08
    dipropyl ether 554.06
    1,2-dichlorobenzene 184.8
    ethyl lactate 167.69
    propylene carbonate 399.05
    n-methylformamide 594.23
    2-pentanol 787.21
    n-pentane 127.98
    1-propoxy-2-propanol 1002.4
    1-methoxy-2-propyl acetate 344.37
    2-(2-methoxypropoxy) propanol 296.58
    mesitylene 59.13
    ε-caprolactone 576.41
    p-cymene 97.42
    epichlorohydrin 643.78
    1,1,1-trichloroethane 380.88
    2-aminoethanol 1056.16
    morpholine-4-carbaldehyde 580.0
    sulfolane 877.14
    2,2,4-trimethylpentane 49.72
    2-methyltetrahydrofuran 890.16
    n-hexyl acetate 317.2
    isooctane 51.33
    2-(2-butoxyethoxy)ethanol 515.75
    sec-butyl acetate 166.79
    tert-butyl acetate 239.68
    decalin 52.53
    glycerin 695.37
    diglyme 784.37
    acrylic acid 618.37
    isopropyl myristate 122.77
    n-butyric acid 1243.35
    acetyl acetate 184.53
    di(2-ethylhexyl) phthalate 123.84
    ethyl propionate 198.63
    nitromethane 743.65
    1,2-diethoxyethane 433.09
    benzonitrile 278.26
    trioctyl phosphate 119.03
    1-bromopropane 347.32
    gamma-valerolactone 843.57
    n-decanol 184.69
    triethyl phosphate 110.61
    4-methyl-2-pentanol 343.29
    propionitrile 512.63
    vinylene carbonate 353.28
    1,1,2-trichlorotrifluoroethane 620.64
    DMS 142.47
    cumene 59.41
    2-octanol 236.3
    2-hexanone 337.1
    octyl acetate 162.59
    limonene 177.55
    1,2-dimethoxyethane 703.57
    ethyl orthosilicate 124.31
    tributyl phosphate 130.57
    diacetone alcohol 401.62
    N,N-dimethylaniline 102.33
    acrylonitrile 506.88
    aniline 250.88
    1,3-propanediol 1302.69
    bromobenzene 166.23
    dibromomethane 471.47
    1,1,2,2-tetrachloroethane 598.27
    2-methyl-cyclohexyl acetate 221.41
    tetrabutyl urea 157.36
    diisobutyl methanol 269.27
    2-phenylethanol 296.49
    styrene 85.85
    dioctyl adipate 162.81
    dimethyl sulfate 114.94
    ethyl butyrate 361.24
    methyl lactate 204.06
    butyl lactate 258.91
    diethyl carbonate 174.98
    propanediol butyl ether 496.85
    triethyl orthoformate 237.85
    p-tert-butyltoluene 94.18
    methyl 4-tert-butylbenzoate 177.09
    morpholine 1053.35
    tert-butylamine 958.96
    n-dodecanol 143.53
    dimethoxymethane 348.78
    ethylene carbonate 303.34
    cyrene 213.05
    2-ethoxyethyl acetate 251.51
    2-ethylhexyl acetate 350.58
    1,2,4-trichlorobenzene 190.35
    4-methylpyridine 393.67
    dibutyl ether 287.61
    2,6-dimethyl-4-heptanol 269.27
    DEF 375.54
    dimethyl isosorbide 412.0
    tetrachloroethylene 496.22
    eugenol 219.32
    triacetin 202.93
    span 80 410.1
    1,4-butanediol 429.49
    1,1-dichloroethane 462.08
    2-methyl-1-pentanol 459.57
    methyl formate 316.88
    2-methyl-1-butanol 816.72
    n-decane 50.37
    butyronitrile 662.6
    3,7-dimethyl-1-octanol 279.44
    1-chlorooctane 149.29
    1-chlorotetradecane 57.8
    n-nonane 54.35
    undecane 36.38
    tert-butylcyclohexane 63.17
    cyclooctane 43.18
    cyclopentanol 1056.57
    tetrahydropyran 1001.34
    tert-amyl methyl ether 288.28
    2,5,8-trioxanonane 505.27
    1-hexene 338.54
    2-isopropoxyethanol 417.69
    2,2,2-trifluoroethanol 251.45
    methyl butyrate 328.91

    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
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.05%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.05%
Satsuma mandarin peel 1 Citrus unshiu Marcovitch, fam. Rutaceae 0.01%
Oregano, spanish (Spain) 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.5%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.5%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.11%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.01%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.06%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.6%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.2%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.1%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.06%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.36%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.03%
Rose (Turkey) 4 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (China) 1a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Rose (China) 1b 8007-01-0 Rosa species (France), fam. Rosaceae 0.02%
Rose (China) 1c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (China) 1d 8007-01-0 Rosa species (Moroccan), fam. Rosaceae 0.04%
Rose (Turkey) 5 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.1%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.1%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.9%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.9%
Pepper, black (India) 6b free volatiles 8006-82-4 Piper nigrum L., fam. Piperaceae 0.5%
Anthoxanthum odoratum (Italy) 1a fresh leaf Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.01%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.1%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.01%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.1%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.05%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.2%