Hexanal

  • Identifiers

    CAS mumber
    66-25-1

    Molecular formula
    C6H12O

    SMILES
    CCCCCC=O

    Retention indicies (RI)

    • DB5: 802.71
    • Carbowax: 1086.14

  • Properties

    XLogP3-AA
    1.8 Well soluble in DEP, MMB, TEC

    Molecular weight
    100.16 g/mol

    Melting points

    • -58.2 °C
    • Heat of Fusion at Melting Point = 1.89X10+7 J/kmol
    • -56 °C

    Boiling points

    • 262 °F at 760 mmHg (USCG, 1999)
    • 129.6 °C
    • 130.00 to 131.00 °C. @ 760.00 mm Hg

    Flash points

    • 90 °F (USCG, 1999)
    • 25 °C (77 °F) - closed cup
    • 90 °F (32 °C) Open cup

    Solubilities

    • In water, 5.64X10+3 mg/L at 30 °C
    • In water, 0.6 wt% (6000 mg/L) at 20 °C
    • Very soluble in ethanol, ethyl ether; soluble in acetone, benzene
    • Miscible with alcohol, propylene glycol and most fixed oils
    • 5.64 mg/mL at 30 °C
    • very slightly soluble in water; miscible with alcohol, propylene glycol, most fixed oils

  • Synonyms

    • HEXANAL
    • Caproaldehyde
    • 66-25-1
    • Hexaldehyde
    • Caproic aldehyde
    • 1-Hexanal
    • Capronaldehyde
    • n-Hexanal
    • Hexanaldehyde
    • n-Caproaldehyde
    • Hexylaldehyde
    • Aldehyde C-6
    • n-Capronaldehyde
    • n-Caproylaldehyde
    • Hexoic aldehyde
    • Hexyl aldehyde
    • n-Hexaldehyde
    • C6 aldehyde
    • n-Caproic aldehyde
    • Kapronaldehyd
    • n-Hexylaldehyde
    • Hexanal (natural)
    • FEMA No. 2557
    • FEMA Number 2557
    • hexan-1-al
    • NSC 2596
    • CCRIS 3219
    • HSDB 560
    • n-C5H11CHO
    • UNII-9DC2K31JJQ
    • Aldehyde C6
    • EINECS 200-624-5
    • 9DC2K31JJQ
    • BRN 0506198
    • DTXSID2021604
    • CHEBI:88528
    • AI3-15364
    • NSC-2596
    • MFCD00007027
    • CHEMBL280331
    • DTXCID901604
    • EC 200-624-5
    • 4-01-00-03296 (Beilstein Handbook Reference)
    • Kapronaldehyd [Czech]
    • CAS-66-25-1
    • UN1207
    • capronaidehyde
    • 1-hexanone
    • Aldehydes, C6
    • Hexanal, 98%
    • CAPRONIC ALDEHYDE
    • HEXANAL [FHFI]
    • HEXANAL [FCC]
    • Caproaldehyde; Hexaldehyde
    • HEXALDEHYDE [HSDB]
    • WLN: VH5
    • Hexanal, analytical standard
    • SCHEMBL22263
    • CAPROIC ALDEHYDE [MI]
    • MSK000977-1ml
    • NSC2596
    • Hexanal, natural, >=90%, FG
    • Hexanal, natural, >=95%, FG
    • Hexanal, >=97%, FCC, FG
    • Tox21_201933
    • Tox21_303342
    • BDBM50028824
    • LMFA06000109
    • STL280331
    • AKOS009156478
    • FH34397
    • FS-3948
    • Hexanal 100 microg/mL in Acetonitrile
    • UN 1207
    • NCGC00249137-01
    • NCGC00257270-01
    • NCGC00259482-01
    • BP-31180
    • DB-054893
    • H0133
    • Hexaldehyde [UN1207] [Flammable liquid]
    • NS00009211
    • EN300-33498
    • A835388
    • Q420698
    • Z234894453
    • 200-624-5
    • 861259-78-1
    • O8Y
1 3

Botanical

Name CAS Botanical Proportion
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.06%
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.4%
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Cardamom (Costa Rica) 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.01%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.01%
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.03%
Ginger (India) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Fern, sweet 2 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 0.53%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.02%
Ginger (Vietnam) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.07%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 2.1%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 1.3%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 0.3%
Orange, sweet (USA-California) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Navel, fam. Rutaceae 0.01%
Orange, sweet (USA-Florida) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Brazil, fam. Rutaceae 0.01%
St. John's wort (Italy) 1a oil 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 0.05%
St. John's wort (Italy) 1b headspace 84082-80-4 Hypericum perforatum L., fam. Guttiferea (Hypericaceae) 0.05%
Yuzu (Japan) 1 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 1.15%
Ginger (China) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Ginger (China) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Parsley leaf (Korea) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (C. sativum Hoffm.), fam. Apiaceae 0.06%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.11%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.35%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.05%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.01%
Mastic gum (Greece) 2 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.01%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 0.01%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.1%
Clary sage (U.S.A.) 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.05%
Clary sage (France) 2 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Clary sage (Russia) 1 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Palmarosa (India) 1 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. martini, fam. Poaceae (Gramineae) 0.05%
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 2.7%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.01%
Avocado leaf Persea gratissima Gaertner (P. americana Mill.), fam. Lauraceae 0.01%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 14.88%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.25%
Thymus sibthorpii (Turkey) Thymus sibthorpii Bentham, fam. Lamiaceae (Labiatae) 0.04%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.05%
Tagetes argentina 3 (Argentina) Tagetes argentina Cabrera, fam. Asteraceae (Compositae) 0.05%
Tagetes laxa (Argentina) Tagetes laxa Cabrera, fam. Asteraceae (Compositae) 0.05%
Tagetes terniflora (Argentina) Tagetes terniflora H.B.K., fam. Asteraceae (Compositae) 0.05%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.5%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.7%