Pentane

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  • Identifiers

    CAS number
    109-66-0

    Molecular formula
    C5H12

    SMILES
    CCCCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 500.0

  • Odor profile

    Sweet 66.17%
    Ethereal 66.17%
    Gassy 46.52%
    Solvent 37.63%
    Musty 30.69%
    Alcoholic 27.22%
    Fresh 25.55%
    Pungent 23.82%
    Fermented 23.66%
    Winey 21.4%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 119.0 [mmHg]. Odor Threshold High: 1147.0 [mmHg]. Odor threshold from AIHA
    • Odor index @ 20 °C= 570
    • 2.2 ppm
    • Odor threshhold: 6.6 mg/cu m (low) and 3000 mg/cu m (high)

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.23 (weak base)

    Molecular weight
    72.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -202 °F (NTP, 1992)
    • -129.67 °C
    • -129 °C
    • -202 °F

    Boiling point

    • 97 °F at 760 mmHg (NTP, 1992)
    • 36.06 °C
    • 36.00 to 37.00 °C. @ 760.00 mm Hg
    • 36 °C
    • 97 °F

    Flash point est.
    -43.22 ˚C

    Flash point expt.

    • -57 °F (NTP, 1992)
    • -40 °C
    • <-40 °F (-40 °C) (Closed cup)
    • -49 °C c.c.
    • -57 °F

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • In water, 38 mg/L at 25 °C
    • Miscible with ethanol, ethyl ether, acetone, benzene, chloroform; soluble in carbon tetrachloride
    • 0.038 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.004 (very poor)
    • 0.04%

  • Synonyms

    • PENTANE
    • n-Pentane
    • 109-66-0
    • Pentan
    • Skellysolve A
    • Pentanen
    • Pentani
    • Amyl hydride
    • Pentanes
    • Tetrafume
    • Tetrakil
    • Tetraspot
    • Caswell No. 642AA
    • NSC 72415
    • HSDB 109
    • EINECS 203-692-4
    • EPA Pesticide Chemical Code 098001
    • UNII-4FEX897A91
    • DTXSID2025846
    • CHEBI:37830
    • AI3-28785
    • 4FEX897A91
    • ACTH, formylmethionyl-
    • MFCD00009498
    • NSC-72415
    • DTXCID705846
    • EC 203-692-4
    • NCGC00091116-01
    • Normal Pentane
    • PENTANE (MART.)
    • PENTANE [MART.]
    • R-601
    • Pentan [Polish]
    • Pentanen [Dutch]
    • Pentani [Italian]
    • 107949-95-1
    • normal-Pentane
    • n-Pentan
    • CAS-109-66-0
    • Pentane, pentene fraction
    • UN1265
    • Butane, methyl- (9CI)
    • syn-pentane
    • 1-ethylpropane
    • Pentane; E 0121; NSC 72415; Norpar 5S; Skellysolve A; n-Pentane
    • trimethylenemethane
    • Pentane, p.a.
    • EINECS 270-684-5
    • EINECS 270-695-5
    • EINECS 271-960-8
    • Pentane [WHO-DD]
    • Pentane, HPLC Grade
    • Pentane Fraction, purum
    • PENTANE [HSDB]
    • n-Pentane, HPLC Grade
    • PENTANE [MI]
    • PENTANE [USP-RS]
    • EC 270-695-5
    • Pentane, p.a., 99%
    • Pentane, purification grade
    • Pentane, analytical standard
    • Pentane, AR, >=99%
    • Pentane, LR, >=99%
    • WLN: 5H
    • 102056-77-9
    • UN 1265 (Salt/Mix)
    • CHEMBL16102
    • Pentane, anhydrous, >=99%
    • n-C5H12
    • Pentane, >=99% (GC)
    • Pentane, p.a., 99.5%
    • Pentane, reagent grade, 98%
    • CH3-(CH2)3-CH3
    • DTXSID40179628
    • DTXSID60181228
    • Pentane, >=99%, HPLC grade
    • n-Pentane, Spectrophotometric Grade
    • NSC72415
    • Pentane, for HPLC, >=99.0%
    • EINECS 270-654-1
    • Tox21_111085
    • Tox21_200248
    • LMFA11000583
    • STL301896
    • Pentane 1000 microg/mL in Methanol
    • Pentane, purum, >=95.0% (GC)
    • AKOS009158849
    • Pentane, UV HPLC spectroscopic, 99%
    • n-Pentane 1000 microg/mL in Methanol
    • Pentane, SAJ first grade, >=96.0%
    • USEPA/OPP Pesticide Code: 098001
    • NCGC00091116-02
    • NCGC00257802-01
    • Pentane, SAJ special grade, >=99.0%
    • Pentanes [UN1265] [Flammable liquid]
    • Pentane, spectrophotometric grade, >=99%
    • NS00008602
    • P0048
    • P2621
    • Pentane, puriss. p.a., >=99.0% (GC)
    • D91890
    • EC 270-654-1
    • Pentane, Laboratory Reagent, >=95.0% (GC)
    • A802071
    • Q150429
    • InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H
    • EB93985D-C6D5-4EC7-A089-73B41F8B4583
    • Pentane, United States Pharmacopeia (USP) Reference Standard
    • Pentane, capillary GC grade, >=98% n-pentane basis, 99.9+% C5 isomers.
    • Pentane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.0% (GC)
    • 203-692-4
    • AKS

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 634.73
    methanol 411.12
    isopropanol 580.16
    water 0.04
    ethyl acetate 944.6
    n-propanol 691.95
    acetone 724.27
    n-butanol 993.94
    acetonitrile 445.13
    DMF 334.85
    toluene 563.31
    isobutanol 530.69
    1,4-dioxane 1299.57
    methyl acetate 554.05
    THF 3033.04
    2-butanone 865.08
    n-pentanol 595.32
    sec-butanol 714.26
    n-hexane 1744.25
    ethylene glycol 39.91
    NMP 668.15
    cyclohexane 1925.11
    DMSO 545.13
    n-butyl acetate 3477.71
    n-octanol 472.06
    chloroform 2173.18
    n-propyl acetate 747.18
    acetic acid 385.0
    dichloromethane 1730.55
    cyclohexanone 1629.99
    propylene glycol 85.18
    isopropyl acetate 630.77
    DMAc 248.96
    2-ethoxyethanol 370.31
    isopentanol 833.51
    n-heptane 3254.48
    ethyl formate 448.62
    1,2-dichloroethane 1124.79
    n-hexanol 1964.82
    2-methoxyethanol 559.63
    isobutyl acetate 441.63
    tetrachloromethane 770.08
    n-pentyl acetate 792.92
    transcutol 1437.13
    n-heptanol 574.81
    ethylbenzene 314.24
    MIBK 539.42
    2-propoxyethanol 1312.94
    tert-butanol 835.13
    MTBE 1076.43
    2-butoxyethanol 606.31
    propionic acid 425.23
    o-xylene 282.13
    formic acid 43.18
    diethyl ether 1903.92
    m-xylene 309.59
    p-xylene 366.67
    chlorobenzene 674.23
    dimethyl carbonate 90.69
    n-octane 597.4
    formamide 54.4
    cyclopentanone 1481.74
    2-pentanone 984.41
    anisole 350.74
    cyclopentyl methyl ether 1563.08
    gamma-butyrolactone 1149.88
    1-methoxy-2-propanol 475.79
    pyridine 974.17
    3-pentanone 687.68
    furfural 706.31
    n-dodecane 225.58
    diethylene glycol 368.23
    diisopropyl ether 617.7
    tert-amyl alcohol 771.77
    acetylacetone 533.4
    n-hexadecane 254.86
    acetophenone 264.36
    methyl propionate 452.16
    isopentyl acetate 2038.57
    trichloroethylene 1441.17
    n-nonanol 453.09
    cyclohexanol 1050.91
    benzyl alcohol 215.24
    2-ethylhexanol 1964.87
    isooctanol 481.59
    dipropyl ether 3461.67
    1,2-dichlorobenzene 522.77
    ethyl lactate 158.34
    propylene carbonate 721.56
    n-methylformamide 190.15
    2-pentanol 810.7
    n-pentane 1288.76
    1-propoxy-2-propanol 1675.01
    1-methoxy-2-propyl acetate 989.4
    2-(2-methoxypropoxy) propanol 366.98
    mesitylene 218.7
    ε-caprolactone 1241.64
    p-cymene 551.86
    epichlorohydrin 1137.89
    1,1,1-trichloroethane 1379.37
    2-aminoethanol 130.48
    morpholine-4-carbaldehyde 562.58
    sulfolane 1045.96
    2,2,4-trimethylpentane 317.75
    2-methyltetrahydrofuran 2634.79
    n-hexyl acetate 867.99
    isooctane 273.21
    2-(2-butoxyethoxy)ethanol 595.33
    sec-butyl acetate 469.94
    tert-butyl acetate 685.43
    decalin 458.02
    glycerin 93.83
    diglyme 1043.31
    acrylic acid 229.8
    isopropyl myristate 415.74
    n-butyric acid 995.97
    acetyl acetate 418.05
    di(2-ethylhexyl) phthalate 208.17
    ethyl propionate 556.77
    nitromethane 396.15
    1,2-diethoxyethane 1747.99
    benzonitrile 435.44
    trioctyl phosphate 214.69
    1-bromopropane 1968.18
    gamma-valerolactone 1160.88
    n-decanol 359.94
    triethyl phosphate 394.52
    4-methyl-2-pentanol 410.65
    propionitrile 672.46
    vinylene carbonate 461.06
    1,1,2-trichlorotrifluoroethane 530.04
    DMS 292.94
    cumene 206.13
    2-octanol 418.5
    2-hexanone 872.69
    octyl acetate 454.55
    limonene 1355.68
    1,2-dimethoxyethane 944.44
    ethyl orthosilicate 475.77
    tributyl phosphate 316.17
    diacetone alcohol 465.26
    N,N-dimethylaniline 213.25
    acrylonitrile 463.2
    aniline 447.07
    1,3-propanediol 277.55
    bromobenzene 768.53
    dibromomethane 1789.1
    1,1,2,2-tetrachloroethane 1265.31
    2-methyl-cyclohexyl acetate 879.67
    tetrabutyl urea 351.03
    diisobutyl methanol 940.46
    2-phenylethanol 517.33
    styrene 377.01
    dioctyl adipate 405.54
    dimethyl sulfate 107.2
    ethyl butyrate 1933.96
    methyl lactate 113.26
    butyl lactate 386.8
    diethyl carbonate 746.17
    propanediol butyl ether 294.65
    triethyl orthoformate 1126.84
    p-tert-butyltoluene 535.56
    methyl 4-tert-butylbenzoate 280.47
    morpholine 1480.86
    tert-butylamine 834.76
    n-dodecanol 301.52
    dimethoxymethane 386.29
    ethylene carbonate 494.56
    cyrene 201.57
    2-ethoxyethyl acetate 569.46
    2-ethylhexyl acetate 1995.45
    1,2,4-trichlorobenzene 513.71
    4-methylpyridine 865.98
    dibutyl ether 1818.93
    2,6-dimethyl-4-heptanol 940.46
    DEF 730.59
    dimethyl isosorbide 739.29
    tetrachloroethylene 951.98
    eugenol 254.51
    triacetin 367.53
    span 80 519.31
    1,4-butanediol 91.23
    1,1-dichloroethane 1305.45
    2-methyl-1-pentanol 561.69
    methyl formate 138.28
    2-methyl-1-butanol 735.56
    n-decane 442.98
    butyronitrile 1081.18
    3,7-dimethyl-1-octanol 672.98
    1-chlorooctane 738.97
    1-chlorotetradecane 294.9
    n-nonane 545.17
    undecane 294.97
    tert-butylcyclohexane 411.0
    cyclooctane 719.18
    cyclopentanol 935.37
    tetrahydropyran 2768.12
    tert-amyl methyl ether 841.85
    2,5,8-trioxanonane 605.13
    1-hexene 2150.41
    2-isopropoxyethanol 304.46
    2,2,2-trifluoroethanol 70.95
    methyl butyrate 760.5

    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
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.5%