ortho-Cymene

  • Identifiers

    CAS mumber
    527-84-4

    Molecular formula
    C10H14

    SMILES
    CC1=CC=CC=C1C(C)C

    Retention indicies (RI)

    • DB5: 1021.33
    • Carbowax: 1260.0

  • Properties

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

    Molecular weight
    134.22 g/mol

    Melting points

    • -71.5 °C
    • MP: also reported as -75.24 °C and -81.53 °C for two unstable solid forms
    • -71.54 °C

    Boiling points

    • 178 °C
    • 177.00 to 179.00 °C. @ 760.00 mm Hg

    Solubilities

    • In water, 23.3 mg/L at 25 °C
    • Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride
    • 0.0233 mg/mL at 25 °C

  • Synonyms

    • O-CYMENE
    • 2-Isopropyltoluene
    • 527-84-4
    • o-Cymol
    • 1-Isopropyl-2-methylbenzene
    • o-Isopropyltoluene
    • CYMENE, ORTHO
    • 1-methyl-2-propan-2-ylbenzene
    • 1-Methyl-2-isopropylbenzene
    • 1-Methyl-2-(1-methylethyl)benzene
    • ortho-cymene
    • 1-Methyl-2-isopropylbenzol
    • Benzene, methyl(1-methylethyl)-
    • Benzene, 1-methyl-2-(1-methylethyl)-
    • HSDB 3427
    • EINECS 208-426-0
    • NSC 73976
    • BRN 1850838
    • UNII-2T13HF3266
    • NSC-73976
    • 2T13HF3266
    • 1-methyl,2-n-isopropylbenzene
    • 25155-15-1
    • 1-(1-methylethyl)-2-methylbenzene
    • 4-05-00-01057 (Beilstein Handbook Reference)
    • 1-Methyl-2-(1-methylethyl)-benzene
    • 2-Isopropyltoluene 100 microg/mL in Acetonitrile
    • isopropyl toluene
    • cymene (ortho-)
    • MFCD00008888
    • o-Cymene, 98%
    • 2-Methylisopropylbenzene
    • O-ISOPROPELTOLUENE
    • O-CYMENE [MI]
    • O-Mentha-1,3,5-triene
    • DTXSID1052165
    • CHEBI:89263
    • 1-methyl-2-(propan-2-yl)benzene
    • NSC73976
    • AKOS015840505
    • UN 2046
    • BS-52939
    • 1-Methyl-2-(1-methylethyl)benzene, 9CI
    • o-Cymene [UN2046] [Flammable liquid]
    • CS-0368263
    • NS00010825
    • T71005
    • Q27161449
    • 208-426-0
1 3

Botanical

Name CAS Botanical Proportion
Achillea collina Achillea collina Becker, fam. Asteraceae (Compositae) 2.2%
Olibanum, Frankincense (Aden) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.5%
Orange leaf, sweet (North Africa) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.09%
Pinus pinaster (France) 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Pinus strobus 1 Pinus strobus L. (White Pine), fam. Pinaceae 0.05%
Cypress cones (Egypt) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.1%
Lepechinia urbanii Lepechinia urbanii (Briq.) Epling, fam. Lamiaceae (Labiatae) 0.34%
Mastic gum (Greece) 2 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.01%
Cistus (Spain) 2 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.01%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Persea podadenia leaf Persea podadenia Blake, subgenus Eriodaphne, fam. Lauraceae 0.46%
Bitter orange leaf (Petitgrain) (Italy) 1 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Italy) Citrus reticulata Blanco (C. deliciosa Tenore), fam. Rutaceae 0.01%
Lemon leaf (petitgrain) (Italy) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Orange leaf, sweet (Italy) 1 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.04%
Orange leaf, sweet (Italy) 2a Valencia Late Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange leaf, sweet (Italy) 2b Biondo Comune Citrus sinensis (L.) Osbeck, cultivar Biondo Comune, fam. Rutaceae 0.06%
Orange leaf, sweet (Italy) 2c Moro Citrus sinensis (L.) Osbeck, cultivar Moro, fam. Rutaceae 0.08%
Lavender (Italy) 1a 8000-28-0 Lavandula angustifolia Mill. (L. officnalis Chaix), fam. Lamiaceae 0.14%
Lavender (Italy) 1b 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.3%
Pinus sibirica (Mongolia) 1b Pinus sibirica (Rupr.) Mayr (Siberian pine), fam. Pinaceae 0.1%
Rose (Bulgaria) 4a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Bulgaria) 4b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Bulgaria) 4c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Turmeric (China) 3 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 0.01%
Tagetes (Argentina) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.3%
Eucalyptus globulus (Italy) 1a hydrodistiled 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.2%
Eucalyptus globulus (Italy) 1b CO2-extract 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.2%
Santolina insularis (Italy) 1a CO2-extract Santolina insularis L., fam. Asteraceae (Compositae) 0.5%
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 1.1%
Eupatorium cannabinum Eupatorium cannabinum L. ssp. cannabinum, fam. Astercaceae (Compositae) 0.1%
Orange leaf, sweet (Italy) 3 Valencia late Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.05%
Lemon leaf (petitgrain) (Italy) 5 Femminello 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello, fam. Rutaceae 0.01%
Citrus cybrid leaf (Italy) Citrus sinensis (L.) Osbeck x C. limon (L.) Burm. f., fam. Rutaceae 0.05%
Sideritis raeseri (Greece) Sideritis raeseri Boiss.et Heldr.ssp.attica (Heldr.) Pap.et Kok, Lamiaceae 0.01%
Espeletia weddellii leaf Espeletia weddellii Sch. Bip. ex Wedd., fam. Asteraceae (Compositae) 0.2%
Satureja boliviana (Argentina) Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 1.4%
Micromeria graeca (Greece) Micromeria graeca (L.) Bentham et Reichenb., fam. Lamiaceae (Labiatae) 0.02%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Bulgaria) 2 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.11%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.03%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.03%