n-HEXANE

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  • Identifiers

    CAS number
    110-54-3

    Molecular formula
    C6H14

    SMILES
    CCCCCC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 600.0
    • Carbowax: 600.0

  • Odor profile

    Sweet 71.77%
    Ethereal 59.76%
    Gassy 52.37%
    Solvent 30.94%
    Musty 27.43%
    Fresh 22.25%
    Alcoholic 20.21%
    Pungent 19.46%
    Fishy 17.07%
    Fermented 16.59%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 65.0 [mmHg]. Odor Threshold High: 248.0 [mmHg]. Odor threshold from AIHA
    • 0.0064 mg/l

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    86.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -139 °F (NTP, 1992)
    • -95.35 °C
    • -93.5 °C
    • -95 °C
    • -139 °F
    • -219 °F

    Boiling point

    • 156 °F at 760 mmHg (NTP, 1992)
    • 68.73 °C
    • 68.70 °C. @ 760.00 mm Hg
    • 69 °C
    • 156 °F

    Flash point est.
    -21.08 ˚C

    Flash point expt.

    • -9.4 °F (NTP, 1992)
    • -7 °F
    • -7 °F (-22 °C) (Closed cup)
    • -22 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 61.7 °F (NTP, 1992)
    • In water, 9.5 mg/L at 25 °C
    • 9.5 to 13 mg/L at 20 °C in distilled water, 75.5 mg/L at 20 °C in salt water
    • Very soluble in ethanol; soluble in ethyl ether, chloroform
    • Miscible with alcohol, chloroform, and ether
    • 0.0095 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.0013 (practically insoluble)
    • 0.002%

  • Synonyms

    • HEXANE
    • n-Hexane
    • 110-54-3
    • Esani
    • Gettysolve-B
    • Skellysolve B
    • Hexyl hydride
    • hexan
    • Dipropyl
    • Hexanen
    • Heksan
    • 92112-69-1
    • normal-hexane
    • Normal hexane
    • NCI-C60571
    • HSDB 91
    • NSC 68472
    • CCRIS 6247
    • CHEBI:29021
    • EINECS 203-777-6
    • UNII-2DDG612ED8
    • 2DDG612ED8
    • DTXSID0021917
    • AI3-24253
    • NSC-68472
    • UN1208
    • n-C6H14
    • DTXCID001917
    • CH3-[CH2]4-CH3
    • EC 203-777-6
    • NSC68472
    • HEXANE (II)
    • HEXANE [II]
    • n-Hexan
    • N-HEXANE (MART.)
    • N-HEXANE [MART.]
    • Butane, ethyl-
    • Esani [Italian]
    • Heksan [Polish]
    • Hexanen [Dutch]
    • HEXANES, MIXTURE OF ISOMERS, FOR SPECTROSCOPY
    • Hexane, for HPLC, >=95%
    • CH3-(CH2)4-CH3
    • MFCD00009520
    • 1-hexane
    • Hexane; NSC 68472; Skellysolve B; n-Hexane
    • Senofilcon C
    • HexH
    • Hexane, for HPLC
    • Hexane, p.a.
    • n-Hexane, anhydrous
    • Hexane (DOT)
    • n-Hexane, p.a.
    • n-Hexane HPLC grade
    • n-Hexane, ACS grade
    • Hexane Fraction, purum
    • Hexane, technical grade
    • n-Hexane, HPLC Grade
    • HEXANE [USP-RS]
    • N-HEXANE [HSDB]
    • HEXANE (N)
    • Hexane, anhydrous, 95%
    • N-HEXANE [MI]
    • Epitope ID:116866
    • Exxsol Hexane (Salt/Mix)
    • Hexane, analytical standard
    • Hexane, p.a., 95%
    • 2CE3AJR3M4
    • SENOFILCON C [USAN]
    • Hexane, AR, >=99%
    • WLN: 6H
    • Hexane, ACS reagent, 99%
    • CHEMBL15939
    • n-Hexane, Environmental grade
    • Hexane, p.a., 95.0%
    • Hexane, for HPLC, >=99%
    • DTXSID70181299
    • DTXSID80179642
    • MSK3501
    • Hexane, purification grade, 95%
    • n-Hexane, Spectrophotometric Grade
    • Hexane, ReagentPlus(R), >=99%
    • HY-Y1224
    • Hexane, puriss., >=95% (GC)
    • Tox21_200777
    • LMFA11000007
    • STL445663
    • Hexane, Laboratory Reagent, >=95%
    • Hexane, purum, >=98.0% (GC)
    • n-Hexane 100 microg/mL in Methanol
    • AKOS000269046
    • Hexane, UV HPLC spectroscopic, 97%
    • Hexane, SAJ first grade, >=95.0%
    • n-Hexane 1000 microg/mL in Methanol
    • Hexane, JIS special grade, >=96.0%
    • Hexanes [UN1208] [Flammable liquid]
    • NCGC00248828-01
    • NCGC00258331-01
    • CAS-110-54-3
    • Hexane, for HPLC, >=97.0% (GC)
    • Hexane, spectrophotometric grade, >=95%
    • H0394
    • H0405
    • H0490
    • H1197
    • Hexane, suitable for determination of dioxins
    • NS00003550
    • A802211
    • Q150440
    • Hexane, Vetec(TM) reagent grade, anhydrous, >=95%
    • Hexane, puriss. p.a., ACS reagent, >=99.0% (GC)
    • 680AF2EE-A7B6-479B-BFB3-0F5354069F72
    • Hexane, >=96.0%, suitable for residual phthalate analysis
    • InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H
    • n-Hexane, 95% min. glass distilled HRGC/HPLC trace grade
    • Hexane, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC)
    • Hexane, Pharmaceutical Secondary Standard; Certified Reference Material
    • Hexane, commercial grade (52% n-hexane, 16% 3-methylpentane, 16% methylcyclopentane)
    • Hexane, puriss., absolute, over molecular sieve (H2O <=0.01%), >=99.0% (GC)
    • 203-777-6
    • 478799-92-7
    • 50981-41-4
    • HEXANE, COMMERCIAL GRADE (52% n-HEXANE, 16% 3-METHYLCYCLOPENTANE, 16% METHYLCYCLOPENTANE)

  • Applications

    n-HEXANE (CAS 110-54-3) is a nonpolar, straight-chain hydrocarbon widely used as a solvent due to strong lipid solvency, rapid evaporation, and relative inertness; key applications include high‑efficiency extraction of vegetable oils from oilseeds and natural waxes with easy recovery by distillation, viscosity and drying‑time control in paints, inks, and varnishes while also serving as an equipment cleaner, carrier and diluent in adhesives, rubber cements, sealants, and in footwear/textile/leather manufacturing, reaction medium or diluent for polyolefin polymerization and rubber solutions, degreasing of metal surfaces and electronic parts prior to surface finishing, laboratory use for Soxhlet extraction of lipids, purification of hydrophobic compounds, nonpolar mobile phase for chromatography (TLC/LC) and UV‑Vis spectroscopic solvent, extraction solvent for oil and grease measurement in environmental analysis (HEM per EPA methods), as well as a blending component in fuels and a carrier solvent in selected flavor, natural product, and pesticide formulations; its use requires control of flammability and occupational exposure due to high volatility and neurotoxicity, with vapor recovery and residual limits per regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 276.03
    methanol 143.01
    isopropanol 341.59
    water 0.02
    ethyl acetate 590.34
    n-propanol 366.67
    acetone 518.45
    n-butanol 528.89
    acetonitrile 275.63
    DMF 328.48
    toluene 500.24
    isobutanol 344.28
    1,4-dioxane 866.56
    methyl acetate 401.01
    THF 2013.24
    2-butanone 635.31
    n-pentanol 357.5
    sec-butanol 469.79
    n-hexane 1275.13
    ethylene glycol 22.61
    NMP 620.66
    cyclohexane 1321.94
    DMSO 451.36
    n-butyl acetate 2017.7
    n-octanol 401.59
    chloroform 1430.24
    n-propyl acetate 529.46
    acetic acid 176.43
    dichloromethane 1084.43
    cyclohexanone 1258.71
    propylene glycol 63.04
    isopropyl acetate 475.88
    DMAc 269.84
    2-ethoxyethanol 234.2
    isopentanol 556.88
    n-heptane 2305.76
    ethyl formate 251.81
    1,2-dichloroethane 773.96
    n-hexanol 1182.63
    2-methoxyethanol 311.56
    isobutyl acetate 399.24
    tetrachloromethane 556.51
    n-pentyl acetate 587.89
    transcutol 892.62
    n-heptanol 427.11
    ethylbenzene 321.61
    MIBK 457.22
    2-propoxyethanol 787.04
    tert-butanol 631.02
    MTBE 958.0
    2-butoxyethanol 420.95
    propionic acid 235.63
    o-xylene 308.57
    formic acid 15.69
    diethyl ether 1045.89
    m-xylene 331.65
    p-xylene 401.96
    chlorobenzene 545.85
    dimethyl carbonate 89.93
    n-octane 519.21
    formamide 22.33
    cyclopentanone 1259.37
    2-pentanone 702.39
    anisole 339.3
    cyclopentyl methyl ether 1174.7
    gamma-butyrolactone 915.73
    1-methoxy-2-propanol 363.08
    pyridine 733.02
    3-pentanone 528.11
    furfural 561.46
    n-dodecane 220.36
    diethylene glycol 224.27
    diisopropyl ether 483.34
    tert-amyl alcohol 638.32
    acetylacetone 479.18
    n-hexadecane 253.48
    acetophenone 273.61
    methyl propionate 349.47
    isopentyl acetate 1434.73
    trichloroethylene 1108.5
    n-nonanol 382.45
    cyclohexanol 681.84
    benzyl alcohol 194.89
    2-ethylhexanol 1328.57
    isooctanol 407.23
    dipropyl ether 2413.8
    1,2-dichlorobenzene 476.51
    ethyl lactate 145.41
    propylene carbonate 617.75
    n-methylformamide 114.98
    2-pentanol 528.6
    n-pentane 789.38
    1-propoxy-2-propanol 1075.62
    1-methoxy-2-propyl acetate 700.25
    2-(2-methoxypropoxy) propanol 314.66
    mesitylene 261.03
    ε-caprolactone 912.71
    p-cymene 534.04
    epichlorohydrin 901.25
    1,1,1-trichloroethane 1178.32
    2-aminoethanol 69.3
    morpholine-4-carbaldehyde 449.23
    sulfolane 1020.09
    2,2,4-trimethylpentane 291.96
    2-methyltetrahydrofuran 1835.56
    n-hexyl acetate 712.76
    isooctane 273.03
    2-(2-butoxyethoxy)ethanol 467.35
    sec-butyl acetate 387.69
    tert-butyl acetate 570.31
    decalin 457.5
    glycerin 70.37
    diglyme 803.31
    acrylic acid 144.87
    isopropyl myristate 410.56
    n-butyric acid 597.76
    acetyl acetate 307.56
    di(2-ethylhexyl) phthalate 198.98
    ethyl propionate 434.48
    nitromethane 246.3
    1,2-diethoxyethane 1049.93
    benzonitrile 371.4
    trioctyl phosphate 213.32
    1-bromopropane 1306.44
    gamma-valerolactone 915.29
    n-decanol 308.44
    triethyl phosphate 370.5
    4-methyl-2-pentanol 332.41
    propionitrile 457.38
    vinylene carbonate 386.61
    1,1,2-trichlorotrifluoroethane 454.09
    DMS 259.12
    cumene 246.41
    2-octanol 347.53
    2-hexanone 694.89
    octyl acetate 411.18
    limonene 1176.72
    1,2-dimethoxyethane 727.53
    ethyl orthosilicate 427.42
    tributyl phosphate 290.72
    diacetone alcohol 441.4
    N,N-dimethylaniline 251.56
    acrylonitrile 342.36
    aniline 327.68
    1,3-propanediol 155.22
    bromobenzene 705.4
    dibromomethane 1173.81
    1,1,2,2-tetrachloroethane 1112.33
    2-methyl-cyclohexyl acetate 736.24
    tetrabutyl urea 367.59
    diisobutyl methanol 790.62
    2-phenylethanol 385.17
    styrene 367.57
    dioctyl adipate 394.51
    dimethyl sulfate 129.61
    ethyl butyrate 1212.19
    methyl lactate 114.89
    butyl lactate 332.11
    diethyl carbonate 592.48
    propanediol butyl ether 250.45
    triethyl orthoformate 828.57
    p-tert-butyltoluene 522.84
    methyl 4-tert-butylbenzoate 317.18
    morpholine 941.3
    tert-butylamine 647.52
    n-dodecanol 269.56
    dimethoxymethane 325.41
    ethylene carbonate 380.88
    cyrene 220.04
    2-ethoxyethyl acetate 418.17
    2-ethylhexyl acetate 1354.49
    1,2,4-trichlorobenzene 494.62
    4-methylpyridine 718.57
    dibutyl ether 1395.75
    2,6-dimethyl-4-heptanol 790.62
    DEF 580.14
    dimethyl isosorbide 675.05
    tetrachloroethylene 732.32
    eugenol 252.25
    triacetin 347.78
    span 80 447.57
    1,4-butanediol 55.72
    1,1-dichloroethane 937.31
    2-methyl-1-pentanol 383.5
    methyl formate 94.22
    2-methyl-1-butanol 493.71
    n-decane 417.96
    butyronitrile 700.56
    3,7-dimethyl-1-octanol 572.23
    1-chlorooctane 704.18
    1-chlorotetradecane 289.28
    n-nonane 514.15
    undecane 284.84
    tert-butylcyclohexane 430.71
    cyclooctane 588.65
    cyclopentanol 639.05
    tetrahydropyran 1782.46
    tert-amyl methyl ether 757.49
    2,5,8-trioxanonane 520.33
    1-hexene 1559.67
    2-isopropoxyethanol 228.5
    2,2,2-trifluoroethanol 43.22
    methyl butyrate 604.33

    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
Annual wormwood (China) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.12%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.1%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 2.6%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.5%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 1.0%