Ethyl hexanoate

  • Identifiers

    CAS mumber
    123-66-0

    Molecular formula
    C8H16O2

    SMILES
    CCCCCC(=O)OCC

    Retention indicies (RI)

    • DB5: 999.5
    • Carbowax: 1232.14

  • Properties

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

    Molecular weight
    144.21 g/mol

    Melting points

    • -67.5 °C

    Boiling points

    • 166.00 to 168.00 °C. @ 760.00 mm Hg

    Solubilities

    • 0.629 mg/mL at 25 °C
    • Soluble in most fixed oils and in propylene glycol, insoluble in water and glycerol
    • 1ml in 2ml 70% ethanol (in ethanol)

  • Synonyms

    • ETHYL HEXANOATE
    • Ethyl caproate
    • 123-66-0
    • Hexanoic acid, ethyl ester
    • Ethyl hexoate
    • Hexanoic Acid Ethyl Ester
    • Caproic acid ethyl ester
    • Ethyl butyl acetate
    • Capronic ether absolute
    • Ethyl n-hexanoate
    • FEMA No. 2439
    • Ethyl hexanoate (caproate)
    • Acetic acid, butyl-, ethyl ester
    • NSC 8882
    • Caproic acid ethylester
    • CCRIS 6555
    • ethyl capronate
    • UNII-FLO6YR1SHT
    • Ethyl n-hexanoat
    • n-Caproic acid ethyl ester
    • EINECS 204-640-3
    • Ethyl ester of hexanoic acid
    • BRN 1701293
    • DTXSID3021980
    • AI3-15347
    • FLO6YR1SHT
    • NSC-8882
    • Ethyl butyl acetate (dot)
    • ETHYL CAPROATE [MI]
    • ETHYL HEXANOATE [FCC]
    • ETHYL HEXANOATE [FHFI]
    • DTXCID301980
    • CHEBI:86055
    • FEMA 2439
    • WE(2:0/6:0)
    • MFCD00009511
    • Ethyl hexanoate (caproate) (natural)
    • ethyl hexoic acid
    • ethyl caproic acid
    • 2-Ethyl Hexanoate
    • Caproate ethyl ester
    • ETHYLHEXANOATE
    • Hexanoate ethyl ester
    • N-Caproate ethyl ester
    • Ethyl ester OF hexanoate
    • Hexanoic acid-ethyl ester
    • Ethyl hexanoate, >=99%
    • SCHEMBL37297
    • WLN: 5VO2
    • MSK6703
    • NSC8882
    • Tox21_301217
    • LMFA07010434
    • AKOS008947981
    • Ethyl hexanoate, >=98%, FCC, FG
    • HY-W019391
    • Caproic acid ethyl ester, Ethyl caproate
    • NCGC00255157-01
    • CAS-123-66-0
    • Ethyl hexanoate; Caproic acid ethyl ester
    • LS-13515
    • H0108
    • NS00004110
    • Ethyl hexanoate, analytical reference material
    • Ethyl hexanoate, natural, >=98%, FCC, FG
    • Ethyl hexanoate, SAJ special grade, >=99.0%
    • Q905406
    • Hexanoic acid-ethyl ester 10 microg/mL in Acetonitrile
1 3

Botanical

Name CAS Botanical Proportion
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.01%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.06%
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.01%
Pteronia incana 2 Pteronia incana, fam. Asteraceae (Compositae) 0.2%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 2.1%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.01%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.01%
Pistacia lentiscus (Israel) 1b leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.06%
Pistacia lentiscus (Israel) 1a fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 7.9%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 3.03%
False acacia flower (Black locust flower) 2 Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 1.0%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 61.01%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 9.58%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 7.26%
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.27%
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 0.44%
Otostegia fruticosa Otostegia fruticosa Forssk., fam. Lamiaceae (Labiatae) 0.01%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 1.0%
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 47.5%
Yarrow (Cuba) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.6%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 7.8%
Mango (India) 1a cv. Langra 90063-86-8 Mangifera indica L. cv. Langra, fam. Anacardiaceae 3.1%
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.4%
Bacuri fruit (Brazil) Platonia insignis M., fam. Guttiferae 1.1%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 0.05%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.4%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.02%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.29%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.6%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 1.5%
Baga fruit Annona glabra L., fam. Annonaceae 0.4%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.3%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.4%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 7.0%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 3.54%