Cas no 27400-72-2 (1,3,?-Octatriene,3,7-dimethyl-, (3E)-)

1,3,?-Octatriene,3,7-dimethyl-, (3E)- structure
27400-72-2 structure
Product Name:1,3,?-Octatriene,3,7-dimethyl-, (3E)-
CAS No:27400-72-2
MF:C10H16
MW:136.234043121338
CID:277480
PubChem ID:5281553
Update Time:2025-04-19

1,3,?-Octatriene,3,7-dimethyl-, (3E)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,?-Octatriene,3,7-dimethyl-, (3E)-
    • (E)-Ocimene
    • 1,3,?-Octatriene,3,7-dimethyl-, (E)-
    • Ocimene, trans- (8CI)
    • trans-Ocimene
    • E-beta-Ocimene
    • OCIMENE
    • J-007176
    • 1,3,6-Octatriene, 3,7-dimethyl-, (E)-
    • (E)-beta-ocimene
    • DTXSID8040567
    • (E)-beta -Ocimene
    • Ocimene, trans
    • .beta.-Ocimene, (E)-
    • 3,7-Dimethyl-(E)-1,3,6-Octatriene
    • trans-beta -Ocimene
    • 3,7-Dimethyl-1,3,6-octatriene (natural)
    • .beta.-trans-Ocimene
    • (E)- .beta.-Ocimene
    • beta-Ocimene 100 microg/mL in Methanol
    • (E)-3,7-Dimethyloctatriene
    • Ocimene, trans-.beta.-
    • Ocimene, trans-beta-
    • beta -trans-Ocimene
    • ocimene (e-beta-)
    • 3779-61-1
    • E-3,7-Dimethyl-1,3,6-octatriene
    • (3E)-3,7-dimethyl-octa-1,3,6-triene
    • (E)-3,7-Dimethylocta-1,3,6-triene
    • OCIMENE TRANS-.BETA.-FORM [MI]
    • Q26777012
    • 3,7-DIMETHYLOCTA-1,3,6-TRIENE, (E)-
    • IHPKGUQCSIINRJ-UHFFFAOYSA-N
    • EINECS 223-241-5
    • CHEBI:64280
    • FEMA No. 3539
    • Ocimene(mixture of isomers)
    • trans-.beta.-Ocimene
    • EINECS 237-641-2
    • 27400-72-2
    • .beta.-Ocimene
    • UNII-V96I2PX4L5
    • CS-0064406
    • A-Ocimene
    • p-Ocimene
    • Octatriene, 3,7-dimethyl-, (E)-
    • AKOS015903787
    • (e)-3,7-dimethyl-1,3,6-octatriene
    • .beta.-(E)-Ocimene
    • 3,7-Dimethyl-(E)-Octatriene
    • LMPR0102010021
    • 3,7-DIMETHYL-1,3,6-OCTATRIENE
    • (3E)-beta-ocimene
    • beta-Ocimene
    • AS-80273
    • 3,7-dimethyl-1,3E,6-octatriene
    • 13877-91-3
    • V96I2PX4L5
    • beta-OCIMENE, (3E)-
    • trans-3,7-dimethylocta-1,3,6-triene
    • C09873
    • .BETA.-OCIMENE, (3E)-
    • t-.beta.-Ocimene
    • beta -(E)-Ocimene
    • 3,7-DIMETHYLOCTA-1,3,6-TRIENE, (3E)-
    • bmse000964
    • 38BQ4UYY06
    • Ocimene, beta-
    • beta-trans-Ocimene
    • HY-117215
    • trans-3,7-Dimethyl-1,3,6-Octatriene
    • UNII-38BQ4UYY06
    • DIMETHYL-1,3,6-OCTATRIENE [FHFI]
    • Ocimene (E)
    • NS00013049
    • trans-beta-Ocimene
    • OCIMENE TRANS-.BETA.-FORM
    • (3E)-3,7-dimethylocta-1,3,6-triene
    • Ocimene trans-beta-form
    • 1,3,6-Octatriene, 3,7-dimethyl-
    • CHEMBL2228374
    • 1,3,6-Octatriene, 3,7-dimethyl-, (3E)-
    • (3E)-3,7-Dimethyl-1,3,6-octatriene
    • Inchi: 1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
    • InChI Key: IHPKGUQCSIINRJ-CSKARUKUSA-N
    • SMILES: C(/C=C(/C=C)\C)/C=C(\C)/C

Computed Properties

  • Exact Mass: 136.125201
  • Monoisotopic Mass: 136.125201
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 0

Experimental Properties

  • Density: 0.776
  • Boiling Point: 175.2°Cat760mmHg
  • Flash Point: 46.9°C

1,3,?-Octatriene,3,7-dimethyl-, (3E)- Related Literature

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