Tetradecane

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  • Identifiers

    CAS number
    629-59-4

    Molecular formula
    C14H30

    SMILES
    CCCCCCCCCCCCCC

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1400.0
    • Carbowax: 1400.0

  • Odor profile

    Waxy 72.15%
    Sweet 35.38%
    Gassy 30.8%
    Oily 27.28%
    Fatty 24.28%
    Fishy 17.49%
    Odorless 17.18%
    Clean 16.07%
    Meaty 14.89%
    Burnt 13.4%

    Scent© AI

  • Properties

    XLogP3-AA
    7.2

    Molecular weight
    198.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 42.6 °F (NTP, 1992)
    • 5.87 °C

    Boiling point

    • 488.7 °F at 760 mmHg (NTP, 1992)
    • 253.57 °C

    Flash point est.
    108.21 ˚C

    Flash point expt.

    • 212 °F (NTP, 1992)
    • 212 °F (100 °C) - closed cup

    Solubility expt.

    • In water, 3.3X10-4 mg/L at 25 °C
    • Very soluble in ether; soluble in carbon tetrachloride
    • Soluble in alcohol

  • Synonyms

    • Tetradecane
    • 629-59-4
    • N-TETRADECANE
    • Tetradecane, N-
    • CCRIS 715
    • Tetradekan
    • HSDB 5728
    • EINECS 211-096-0
    • MFCD00008986
    • NSC 72440
    • BRN 1733859
    • DTXSID1027267
    • UNII-03LY784Y58
    • CHEBI:41253
    • AI3-04240
    • NSC-72440
    • 03LY784Y58
    • DTXCID707267
    • EC 211-096-0
    • 4-01-00-00520 (Beilstein Handbook Reference)
    • Tridecane, methyl-
    • Tetradecane, analytical standard
    • CH3-(CH2)12-CH3
    • CH3-[CH2]12-CH3
    • Tetradecane olefine
    • EINECS 292-448-0
    • Tetradecane, 99%
    • n-Tetradecane 10 microg/mL in Hexane
    • Tetradecane, >=99%
    • N-TETRADECANE [HSDB]
    • Tetradecane_GurudeebanSatyavani
    • CHEMBL135488
    • MSK3509
    • DTXSID101022622
    • NSC72440
    • Tox21_303277
    • LMFA11000586
    • STL280540
    • AKOS004910010
    • 1ST3509
    • FT34597
    • HY-W094846
    • NCGC00257151-01
    • AS-56340
    • CAS-629-59-4
    • MSK3509-1000
    • SY010359
    • DB-054348
    • CS-0146758
    • NS00010784
    • T0079
    • Tetradecane, olefine free, >=99.0% (GC)
    • 1ST3509-1000
    • G68413
    • n-Tetradecane Solution in Hexane, 1000?g/mL
    • n-Tetradecane Solution in Hexane, 1000mug/mL
    • Q150808
    • C72FCDE9-545A-4C7D-9907-1DFACCF43A82
    • Tetradecane, certified reference material, TraceCERT(R)
    • 211-096-0

  • Applications

    Tetradecane (CAS 629-59-4) is a nonpolar n-alkane used widely as a hydrophobic solvent and diluent for organic synthesis, catalysis, and materials processing; as the continuous hydrocarbon phase in microemulsions, microfluidics, and droplet-based assays; as an internal/external standard for GC/FID and GC–MS to calibrate n-alkane series and establish Kovats retention indices (~C14) and detector response factors; as a model component in combustion and surrogate gasoline/diesel studies to tune boiling distribution, volatility, and combustion kinetics; as a phase-change material (PCM) with a melting point around 5–6°C for localized cold storage, cold-chain packs, and microclimate control; as a reference medium in heat transfer/convection experiments; as a calibration standard in MOSH/MOAH and mineral hydrocarbon profiling; and as a representative species to study paraffin crystallization, wax precipitation, and asphaltene interactions in crude oil and pipeline flow.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 242.16
    methanol 86.16
    isopropanol 440.23
    water 0.0
    ethyl acetate 2416.21
    n-propanol 461.16
    acetone 1373.1
    n-butanol 763.07
    acetonitrile 357.01
    DMF 748.87
    toluene 2103.8
    isobutanol 539.43
    1,4-dioxane 2837.15
    methyl acetate 1032.54
    THF 7064.57
    2-butanone 1860.55
    n-pentanol 569.06
    sec-butanol 747.26
    n-hexane 4197.57
    ethylene glycol 10.14
    NMP 1563.84
    cyclohexane 8953.13
    DMSO 984.5
    n-butyl acetate 6463.88
    n-octanol 804.26
    chloroform 3708.41
    n-propyl acetate 2332.64
    acetic acid 196.52
    dichloromethane 3581.79
    cyclohexanone 4873.06
    propylene glycol 40.9
    isopropyl acetate 2429.28
    DMAc 989.03
    2-ethoxyethanol 461.29
    isopentanol 1115.27
    n-heptane 9266.2
    ethyl formate 553.3
    1,2-dichloroethane 3302.79
    n-hexanol 1618.16
    2-methoxyethanol 448.17
    isobutyl acetate 1926.98
    tetrachloromethane 1462.82
    n-pentyl acetate 2607.01
    transcutol 3005.0
    n-heptanol 822.37
    ethylbenzene 1373.58
    MIBK 2266.73
    2-propoxyethanol 1253.18
    tert-butanol 1268.26
    MTBE 3813.54
    2-butoxyethanol 915.17
    propionic acid 338.53
    o-xylene 1413.14
    formic acid 9.12
    diethyl ether 4226.45
    m-xylene 1409.51
    p-xylene 1720.85
    chlorobenzene 1722.05
    dimethyl carbonate 291.43
    n-octane 1858.46
    formamide 22.78
    cyclopentanone 3880.57
    2-pentanone 2664.95
    anisole 1447.82
    cyclopentyl methyl ether 5423.06
    gamma-butyrolactone 2474.36
    1-methoxy-2-propanol 673.83
    pyridine 2489.52
    3-pentanone 2269.49
    furfural 1295.96
    n-dodecane 576.51
    diethylene glycol 244.76
    diisopropyl ether 2835.12
    tert-amyl alcohol 1390.18
    acetylacetone 2012.11
    n-hexadecane 720.48
    acetophenone 1205.0
    methyl propionate 1204.94
    isopentyl acetate 5463.5
    trichloroethylene 3967.65
    n-nonanol 863.08
    cyclohexanol 1930.64
    benzyl alcohol 488.59
    2-ethylhexanol 2806.42
    isooctanol 1007.89
    dipropyl ether 12238.03
    1,2-dichlorobenzene 1708.46
    ethyl lactate 412.84
    propylene carbonate 1574.67
    n-methylformamide 167.18
    2-pentanol 1074.59
    n-pentane 2424.88
    1-propoxy-2-propanol 2375.19
    1-methoxy-2-propyl acetate 2701.65
    2-(2-methoxypropoxy) propanol 870.2
    mesitylene 1285.97
    ε-caprolactone 3136.49
    p-cymene 1982.94
    epichlorohydrin 2966.34
    1,1,1-trichloroethane 4656.31
    2-aminoethanol 47.62
    morpholine-4-carbaldehyde 1285.32
    sulfolane 2982.75
    2,2,4-trimethylpentane 997.18
    2-methyltetrahydrofuran 6474.18
    n-hexyl acetate 2453.56
    isooctane 950.0
    2-(2-butoxyethoxy)ethanol 1143.24
    sec-butyl acetate 2310.64
    tert-butyl acetate 3374.61
    decalin 2238.6
    glycerin 51.68
    diglyme 2884.83
    acrylic acid 170.51
    isopropyl myristate 1543.5
    n-butyric acid 1074.95
    acetyl acetate 1202.34
    di(2-ethylhexyl) phthalate 554.89
    ethyl propionate 2277.26
    nitromethane 420.34
    1,2-diethoxyethane 5175.82
    benzonitrile 924.17
    trioctyl phosphate 583.16
    1-bromopropane 4746.69
    gamma-valerolactone 2618.25
    n-decanol 642.18
    triethyl phosphate 1658.0
    4-methyl-2-pentanol 889.79
    propionitrile 795.97
    vinylene carbonate 866.5
    1,1,2-trichlorotrifluoroethane 1085.07
    DMS 940.76
    cumene 1023.94
    2-octanol 841.02
    2-hexanone 2600.77
    octyl acetate 1359.29
    limonene 4512.91
    1,2-dimethoxyethane 2489.71
    ethyl orthosilicate 1967.91
    tributyl phosphate 877.76
    diacetone alcohol 1571.83
    N,N-dimethylaniline 1172.41
    acrylonitrile 499.14
    aniline 953.86
    1,3-propanediol 147.85
    bromobenzene 2572.88
    dibromomethane 3470.49
    1,1,2,2-tetrachloroethane 4285.98
    2-methyl-cyclohexyl acetate 2945.07
    tetrabutyl urea 1179.63
    diisobutyl methanol 2725.8
    2-phenylethanol 838.95
    styrene 1525.61
    dioctyl adipate 1490.25
    dimethyl sulfate 492.89
    ethyl butyrate 6041.57
    methyl lactate 235.29
    butyl lactate 930.74
    diethyl carbonate 2577.27
    propanediol butyl ether 416.5
    triethyl orthoformate 4347.4
    p-tert-butyltoluene 2042.61
    methyl 4-tert-butylbenzoate 1214.34
    morpholine 2908.12
    tert-butylamine 1572.02
    n-dodecanol 559.88
    dimethoxymethane 1012.99
    ethylene carbonate 1065.88
    cyrene 596.15
    2-ethoxyethyl acetate 1792.17
    2-ethylhexyl acetate 5308.3
    1,2,4-trichlorobenzene 1726.42
    4-methylpyridine 2367.96
    dibutyl ether 6503.84
    2,6-dimethyl-4-heptanol 2725.8
    DEF 2340.96
    dimethyl isosorbide 2107.08
    tetrachloroethylene 2431.83
    eugenol 700.67
    triacetin 1407.71
    span 80 969.94
    1,4-butanediol 58.66
    1,1-dichloroethane 3119.25
    2-methyl-1-pentanol 837.97
    methyl formate 147.47
    2-methyl-1-butanol 899.39
    n-decane 1318.39
    butyronitrile 1382.71
    3,7-dimethyl-1-octanol 1431.63
    1-chlorooctane 2357.94
    1-chlorotetradecane 862.59
    n-nonane 1608.72
    undecane 805.49
    tert-butylcyclohexane 1765.33
    cyclooctane 3277.7
    cyclopentanol 1409.36
    tetrahydropyran 7546.08
    tert-amyl methyl ether 3194.51
    2,5,8-trioxanonane 1564.97
    1-hexene 4491.9
    2-isopropoxyethanol 585.35
    2,2,2-trifluoroethanol 55.77
    methyl butyrate 2830.32

    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
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.11%
Indian dill Anethum sowa Roxb., fam. Apiaceae (Umbelliferae) 0.05%
Senecio Senecio glaucus ssp. coronopifolius (Maire Alexander), fam. Asteraceae 0.1%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.58%
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) 0.3%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Cedrus atlantica (Morocco) Cedrus atlantica Man., fam. Cupressaceae 0.01%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 0.01%
Yuzu (Japan) 3 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Lemon (Japan) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Parsley leaf (Germany), 1a (curly leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.01%
Magnolia purpurella (China) 2 Magnolia purpurella Law et Zhou, fam. Magnoliaceae 0.27%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.41%
Pistacia vera fruit hull (Turkey) Pistacia vera L., fam. Anacardiaceae 0.01%
Hedyotis diffusa (Malaysia) Hedyotis diffusa Willd. (syn. Oldenlandia diffusa Roxb.), fam. Rubiaceae 0.2%
Naoshichi (Japan) Citrus taguma-sudachi Hort. ex Tanaka, fam. Rutaceae 0.02%
Minthostachys spicata Minthostachys spicata (Benth.) Epl., fam Lamiaceae (Labiatae) 0.1%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.02%
Leptospermum javanicum (Malaysia) Leptospermum javanicum Blume, fam. Myrtaceae 0.01%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.01%
Lemon flower headspace (clone SG) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.2%
Lemon flower headspace (clone ZH) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.2%
Narcissus tazetta (var. chinensis) headspace 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amarillidaceae 0.08%
Monizia edulis Monizia edulis Lowe [Melanoselinum edulis (Lowe) Drude], fam. Apiaceae 0.01%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.4%
Fenugreek 1a headspace 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 7.5%
Fenugreek 1b steamdistillate 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.01%
Eschweilera coriacea flower Eschweilera coriacea (A.P.DC.) Mori, fam. Lecythidaceae 0.2%
Alpinia laosensis (Vietnam) Alpinia laosensis Gagnep., fam. Zingiberaceae 0.3%
Lecythis usitata var. paraensis flower Lecythis usitata Miers. var. paraensis (Ducke) R. Kunth. fam. Lecythidacea 0.1%
Tagetes (Italy) 1b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.16%
Eucalyptus globulus (China) 4 residue 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.02%
Nepeta persica (Iran) Nepeta persica Boiss, fam. Lamiaceae (Labiatae) 0.7%
Turmeric (India) 5a rhizome 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.05%
Lantana camara (India) 1a leaf 90046-17-6 Lantana camara L., fam. Verbenaceae 0.1%
Lantana camara (India) 1b flower 90046-17-6 Lantana camara L., fam. Verbenaceae 0.1%
Zataria multiflora (Iran) 3 Zataria multiflora Boiss., fam. Lamiaceae (Labiatae) 2.0%
Dialium guineense fruit Dialium guineense Wild., fam. Cesalpinaceae 4.6%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.1%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.1%
Pummelo (Shaddock) (Vietnam) peel 84696-38-8 Citrus maxima (J. Burman) Merrill. (C. grandis (L.) Osbeck), fam. Rutaceae 0.01%
Orange, sweet (Vietnam) 2 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.02%
Tangerine (Vietnam) 8008-31-9 Citrus reticulata Blanco, cultivar Tangerine, fam. Rutaceae 0.1%
Lime (Mexican, West Indian, Key) (Vietnam) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.01%