• Identifiers

    CAS number
    149-57-5

    Molecular formula
    C8H16O2

    SMILES
    CCCCC(CC)C(=O)O

    Retention indicies (RI)

    • DB5: 1129.0
  • Odor profile

    fruity 83.14%
    cheesy 71.9%
    herbal 62.47%
    fatty 56.86%
    sour 51.28%
    oily 47.9%
    sweet 47.5%
    earthy 44.62%
    dairy 41.04%
    musty 38.02%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6 Well soluble in DEP, BB, MMB

    Molecular weight
    144.21 g/mol

    Melting points

    • -117 °F (NTP, 1992)
    • -59.00 °C. @ 760.00 mm Hg
    • -59 °C
    • -117 °F

    Boiling points

    • 442 °F at 760 mmHg (NTP, 1992)
    • 228 °C
    • 220.00 to 223.00 °C. @ 760.00 mm Hg
    • 227 °C
    • 442 °F

    Flash points

    • 260 °F (NTP, 1992)
    • 118 °C
    • 114 °C (closed cup)
    • 245 °F (118 °C) (OPEN CUP)
    • 118 °C o.c.
    • 260 °F

    Solubilities

    • less than 1 mg/mL at 84 °F (NTP, 1992)
    • Soluble in ethyl ether, carbon tetrachloride; slightly soluble in ethanol.
    • Solubility in water = 1.4 g/L water at 25 °C.
    • In water at 20 °C, 0.2 wt %. /2,000 mg/L/
    • 2 mg/mL at 20 °C
    • Solubility in water, g/100ml: 0.14 (very poor)

  • Synonyms

    • 2-ETHYLHEXANOIC ACID
    • 149-57-5
    • 2-Ethylcaproic acid
    • Hexanoic acid, 2-ethyl-
    • Ethylhexanoic acid
    • Ethylhexoic acid
    • 2-Ethylhexoic acid
    • Butylethylacetic acid
    • 2-Butylbutanoic acid
    • 3-Heptanecarboxylic acid
    • Ethyl hexanoic acid
    • 2-ethyl-hexoic acid
    • 2-ethyl hexanoic acid
    • alpha-Ethylcaproic acid
    • 2-ethyl-hexanoic acid
    • Ethyl hexanoic acid, 2-
    • alpha-ethyl caproic acid
    • MFCD00002675
    • .alpha.-Ethylcaproic acid
    • 2-Ethyl-1-hexanoic acid
    • 01MU2J7VVZ
    • 2-EHA
    • 2-ETHYL HEXOIC ACID,AR
    • DTXSID9025293
    • CHEBI:89058
    • NSC-8881
    • 2-Ethylhexansaeure
    • 2-ethylhexanoicacid
    • DTXCID805293
    • 2-Ethylhexanoic acid, >=99%
    • CAS-149-57-5
    • 2 ETHYL HEXANOIC ACID
    • CCRIS 3348
    • HSDB 5649
    • Kyselina 2-ethylkapronova [Czech]
    • NSC 8881
    • Kyselina 2-ethylkapronova
    • EINECS 205-743-6
    • (+/-)-2-ETHYLHEXANOIC ACID
    • UNII-01MU2J7VVZ
    • Kyselina heptan-3-karboxylova [Czech]
    • BRN 1750468
    • Kyselina heptan-3-karboxylova
    • AI3-01371
    • Hexanoic acid, 2-ethyl-, (-)-
    • EINECS 262-971-9
    • 2-Ethylcapronic acid
    • 2-Ethyl-Hexonic acid
    • alpha-Ethylhexanoic acid
    • .alpha.-Ethylhexanoic acid
    • EC 205-743-6
    • SCHEMBL25800
    • 2-Ethylhexanoic acid, 99%
    • MLS002415695
    • CHEMBL1162485
    • WLN: QVY4 & 2
    • NSC8881
    • HMS2267F21
    • STR05759
    • 2-ETHYLHEXANOIC ACID [HSDB]
    • Tox21_201406
    • Tox21_300108
    • LMFA01020087
    • MSK157439
    • AKOS009031416
    • AT29893
    • CS-W016381
    • SB44987
    • SB44994
    • NCGC00091324-01
    • NCGC00091324-02
    • NCGC00091324-03
    • NCGC00253985-01
    • NCGC00258957-01
    • 2-Ethylhexanoic acid, analytical standard
    • SMR001252268
    • 1ST157439
    • MSK157439-1000
    • E0120
    • NS00010660
    • EN300-20410
    • 1ST157439-1000
    • Q209384
    • F0001-0703
    • Z104478072
    • 18FEB650-7573-4EA0-B0CD-9D8BED766547
    • 2-Ethylhexanoic acid Solution in Acetonitrile, 1000?g/mL
    • 2-Ethylhexanoic acid Solution in Acetonitrile, 1000mug/mL
    • 2-Ethylhexanoic acid, Pharmaceutical Secondary Standard; Certified Reference Material
1 of 4
Name CAS Botanical Proportion
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.02%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.01%
Datura flower headspace (Japan) Datura candida (Pers.), fam. Solanaceae 0.04%