Heptanal

  • Identifiers

    CAS mumber
    111-71-7

    Molecular formula
    C7H14O

    SMILES
    CCCCCCC=O

    Retention indicies (RI)

    • DB5: 902.86
    • Carbowax: 1184.14

  • Properties

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

    Molecular weight
    114.19 g/mol

    Melting points

    • -45 °F (NTP, 1992)
    • -43.3 °C
    • Heat of fusion = 2.3585X10+7 J/kmol at melting point
    • -43.3 °C

    Boiling points

    • 307 °F at 760 mmHg (NTP, 1992)
    • 152.8 °C
    • 152.00 to 153.00 °C. @ 760.00 mm Hg

    Flash points

    • 95 °F (NTP, 1992)
    • 48 °C (closed cup)

    Solubilities

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Miscible with alcohol, ether. Soluble in 3 volumes of 60% alcohol.
    • 1:12 IN 50% ALC, 1:4 IN 60% ALC, 1:2 IN 70% ALC
    • Slightly soluble in carbon tetrachloride; miscible with ethanol, ethyl ether
    • In water, 1,250 mg/L at 25 °C
    • 1.25 mg/mL at 25 °C
    • slightly soluble in water; miscible with alcohol, ether, fixed oils
    • 1 ml in 2 ml 70% alcohol (in ethanol)

  • Synonyms

    • Heptanal
    • Heptaldehyde
    • 111-71-7
    • Enanthaldehyde
    • n-Heptaldehyde
    • Enanthal
    • N-HEPTANAL
    • Heptyl aldehyde
    • Heptanaldehyde
    • Oenanthaldehyde
    • n-Heptylaldehyde
    • Oenanthal
    • Oenanthol
    • Enanthic aldehyde
    • Enanthole
    • Oenanthic aldehyde
    • Aldehyde C-7
    • Heptylaldehyde
    • 1-Heptanal
    • Heptanal (natural)
    • 1-Heptaldehyde
    • FEMA No. 2540
    • FEMA Number 2541
    • n-C6H13CHO
    • NSC 2190
    • CCRIS 6041
    • HSDB 6026
    • heptan-1-al
    • EINECS 203-898-4
    • UNII-92N104S3HF
    • BRN 1560236
    • DTXSID0021597
    • CHEBI:34787
    • AI3-02066
    • 92N104S3HF
    • NSC-2190
    • CHEMBL18104
    • DTXCID601597
    • HEPTANAL (ALDEHYDE C-7)
    • EC 203-898-4
    • CAS-111-71-7
    • MFCD00007028
    • UN3056
    • Oenanthole
    • Heptaldehyde, 95%
    • HEPTANAL [FHFI]
    • HEPTANAL [FCC]
    • HEPTANAL [MI]
    • n-Heptaldehyde [UN3056] [Flammable liquid]
    • N-HEPTANAL [HSDB]
    • WLN: VH6
    • FEMA NUMBER 2540
    • SCHEMBL22542
    • BIDD:ER0302
    • FEMA 2540
    • Heptaldehyde, analytical standard
    • NSC2190
    • Heptanal, >=95%, FCC, FG
    • STR02180
    • Tox21_202173
    • Tox21_302779
    • BDBM50028829
    • LMFA06000001
    • STL453624
    • AKOS000121137
    • FH34726
    • Heptaldehyde, technical, >=95% (GC)
    • NCGC00091807-01
    • NCGC00091807-02
    • NCGC00256491-01
    • NCGC00259722-01
    • DB-041000
    • H0025
    • NS00008989
    • EN300-24060
    • n-Heptaldehyde [UN3056] [Flammable liquid]
    • A802402
    • Q425827
    • F2190-0613
    • InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H
    • 203-898-4
1 3

Botanical

Name CAS Botanical Proportion
Anise herb 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.49%
Anise root 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 1.61%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.03%
Ginger (India) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.03%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 1.8%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 1.1%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Orange leaf, sweet (North Africa) 2 Citrus sinensis (L.) Osbeck, cultivar Sanguine, fam. Rutaceae 0.4%
Orange leaf, sweet (North Africa) 1 Citrus sinensis (L.) Osbeck, cultivar Portuguese, fam. Rutaceae 0.02%
Orange leaf, sweet (North Africa) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange leaf, sweet (North Africa) 4 Citrus sinensis (L.) Osbeck, cultivar Washington navel, fam. Rutaceae 0.03%
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.07%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.04%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 1.33%
Lemon (Argentina) 1 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Pummelo (Shaddock) (Vietnam) flower 84696-38-8 Citrus maxima (J. Burman) Merrill. (C. grandis (L.) Osbeck), fam. Rutaceae 0.01%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.25%
Coriander fruit 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.1%
Orange, sweet, deterpenized 8008-57-9 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.03%
Rose (Morocco) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (Kazanlik) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Lemon (Argentina) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 3 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 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%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.1%
Orange, sweet (USA) (hydrocarbon-free) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.09%
Eromenthe (USA) 2 Mentha spicata L., var. eromenthe, fam. Lamiaceae (Labiatae) 0.02%
Heteromorpha trifoliata Heteromorpha trifoliata (Wendl.) Eckl. & Zey., fam.Apiaceae (Umbelliferae) 0.05%
Michelia champaca flower headspace (China) Michelia champaca L., fam. Magnoliaceae 17.07%
Narcissus tazetta headspace (China) 2 8023-75-4 Narcissus tazetta L. var chinensis Roem. f. florepleno, fam.Amaryllidaceae 6.31%
Narcissus tazetta headspace (China) 3 8023-75-4 Narcissus tazetta L. var. chinensis Roem. ssp. aurens, fam. Amaryllidaceae 1.71%
Narcissus tazetta headspace (China) 4 8023-75-4 Narcissus tazetta L. var. Xiaohuabai, fam. Amaryllidaceae 14.85%
Narcissus tazetta headspace (China) 5 8023-75-4 Narcissus tazetta L. var. Dahuabai, fam. Amaryllidaceae 2.11%
Tagetes (Argentina) 2a 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Tagetes (Argentina) 2b 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Lawsonia inermis flower headspace (China) Lawsonia inermis L., fam. Lythraceae 0.25%
Lemon 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.04%
Couroupita guaianensis flower (Malaysia) Couroupita guianensis Auble, fam. Lecythidaceae 0.3%
Geum montanum root Geum montanum L., fam. Rosaceae 0.02%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.28%
Truffle, white (Italy) Tuber magnatum Pico, fam. Ascomycetae 1.0%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.88%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.24%
Narcissus tazetta (var. chinensis) 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amaryllidaceae 0.77%