2-Ethylhexanoic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    149-57-5

    Molecular formula
    C8H16O2

    SMILES
    CCCCC(CC)C(=O)O

    Safety labels

    Health Hazard
    Health

    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, IAA, BB

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

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

    Boiling point

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

    Flash point expt.

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

    Solubility expt.

    • 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 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
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%