Methyl octanoate

  • Định danh

    Số CAS
    111-11-5

    Công thức phân tử
    C9H18O2

    SMILES
    CCCCCCCC(=O)OC

    Chỉ số lưu (RI)

    • DB5: 1125.0
    • Carbowax: 1380.4

  • Thuộc tính

    XLogP3-AA
    3.6 Tan tốt trong BB, DEP, MMB

    Khối lượng phân tử
    158.24 g/mol

    Nhiệt độ tan chảy

    • -40 °C
    • -40 °C

    Nhiệt độ sôi

    • 192.9 °C @ 760 mm Hg
    • 194.00 to 195.00 °C. @ 760.00 mm Hg

    Độ tan

    • Insoluble in water; very soluble in alcohol, ether
    • In water, 64.4 mg/l @ 20 °C
    • 0.0644 mg/mL at 20 °C
    • soluble in alcohol; insoluble in water

  • Hồ sơ mùi hương

    Scent© AI

    Mùi Xác xuất
    fruity 94.24%
    green 81.09%
    sweet 76.85%
    waxy 72.12%
    fatty 63.38%
    winey 61.4%
    floral 57.96%
    oily 48.74%
    pineapple 48.28%
    banana 48.24%

  • Các tên gọi

    • Methyl octanoate
    • 111-11-5
    • Methyl caprylate
    • Caprylic acid methyl ester
    • Methyl n-octanoate
    • OCTANOIC ACID, METHYL ESTER
    • Uniphat A20
    • Octanoic acid methyl ester
    • Methyl octylate
    • Methyl caprylate (natural)
    • FEMA No. 2728
    • formyl octanoate
    • HSDB 5544
    • Methyl ester octanoic acid
    • NSC 3710
    • EINECS 203-835-0
    • UNII-7MO740X6QL
    • MFCD00009551
    • BRN 1752270
    • DTXSID2026864
    • CHEBI:87432
    • AI3-01979
    • NSC-3710
    • octanoic acid-methyl ester
    • C08 FAME
    • Caprylic acid, methyl ester
    • n-Caprylic acid methyl ester
    • Methyl ester of octanoic acid
    • 7MO740X6QL
    • DTXCID606864
    • METHYL OCTANOATE [FHFI]
    • WE(1:0/8:0)
    • EC 203-835-0
    • METHYL CAPRYLATE [USP-RS]
    • 4-02-00-00986 (Beilstein Handbook Reference)
    • OCTANOIC ACID, METHYL ESTER [HSDB]
    • n-Octanoic Acid Methyl Ester
    • METHYL CAPRYLATE (USP-RS)
    • CAS-111-11-5
    • methyloctanoate
    • Methyl Caprylate; Octanoic acid methyl ester; Methyl octanoate
    • Methyl noctanoate
    • methyl octanoic acid
    • Methyl caprylic acid
    • Caprylate methyl ester
    • Octanoate methyl ester
    • Methyl octanoate, 99%
    • PASTELL M 08
    • UNIPHAT A 20
    • Methyl octanoate (Standard)
    • SCHEMBL27416
    • Methyl octanoate, 99%, FG
    • METHYL CAPRYLATE [INCI]
    • CHEMBL3183908
    • MSK1806
    • NSC3710
    • HY-W087943R
    • UYB79891
    • Tox21_201470
    • Tox21_300557
    • BBL011470
    • LMFA07010446
    • Methyl octanoate, analytical standard
    • STL146582
    • AKOS005721017
    • HY-W087943
    • Octanoic acid methyl ester (FAME MIX)
    • NCGC00163978-01
    • NCGC00163978-02
    • NCGC00163978-03
    • NCGC00254484-01
    • NCGC00259021-01
    • AS-56805
    • DB-003612
    • CS-0128781
    • NS00007708
    • O0033
    • S0306
    • EN300-7110910
    • Q3348789
    • 1A56EE3E-501F-4327-A796-0B21C0CBD8BF
    • Methyl octanoate, certified reference material, TraceCERT(R)
    • Methyl caprylate, United States Pharmacopeia (USP) Reference Standard
    • 203-835-0
1 3

Thực vật

Tên CAS Thực vật Tỷ lệ
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.01%
Schinus molle 68917-52-2 Schinus molle L., fam. Anarcadiaceae 0.7%
Hop (Neomexicanus cultivar) (USA) 8007-04-3 Humulus lupulus L., var. neomeaxicanus Nels. & Cockerell, fam. Cannabaceae 0.24%
Schinus molle berry 68917-52-2 Schinus molle L., fam. Anarcadiaceae 2.17%
Schinus molle leaf 68917-52-2 Schinus molle L., fam. Anarcadiaceae 0.01%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.01%
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 0.7%
Magnolia grandiflora flower head space (China) 93062-76-1 Magnolia grandiflora L., fam. Magnoliaceae 1.78%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 0.05%
Guava fruit headspace (China) 91770-12-6 Psidium guajava L., fam. Myrtaceae 2.81%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.2%
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 2.1%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 1.1%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.2%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 10.97%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.1%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.2%
Soursop, fruit Annona muricata L., fam. Annonaceae 0.05%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 0.3%
Baga fruit Annona glabra L., fam. Annonaceae 0.2%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 15.6%