Chemical Properties of 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS 106-26-3)

2,6-Octadienal, 3,7-dimethyl-, (Z)-

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InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
InChI Key
WTEVQBCEXWBHNA-YFHOEESVSA-N
Formula
C10H16O
SMILES
CC(C)=CCCC(C)=CC=O
Molecular Weight1
152.23
CAS
106-26-3
Other Names
  • «beta»-Citral
  • cis-Citral
  • cis-3,7-Dimethyl-2,6-octadienal
  • beta-Citral
  • Neral
  • Z-Citral
  • (Z)-3,7-Dimethyl-2,6-octadienal
  • Citral B
  • (2Z)-3,7-Dimethyl-2,6-octadienal
  • 2,6-Octadienal, 3,7-dimethyl-, (2Z)-
  • (Z)-Neral
  • Neroli aldehyde
  • Z-Citral (neral)
  • (Z)-3,7-dimethylocta-2,6-dienal
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Physical Properties

Property Value Unit Source
Δf 77.14 kJ/mol Joback Calculated Property
Δfgas -120.45 kJ/mol Joback Calculated Property
Δfus 21.73 kJ/mol Joback Calculated Property
Δvap 60.20 kJ/mol NIST
log10WS -3.00 Crippen Calculated Property
logPoct/wat 2.878 Crippen Calculated Property
McVol 144.730 ml/mol McGowan Calculated Property
Pc 2525.19 kPa Joback Calculated Property
Inp [1204.00; 1278.00]   Show Hide
Inp 1213.25 NIST
Inp 1215.50 NIST
Inp 1217.84 NIST
Inp 1220.26 NIST
Inp 1222.79 NIST
Inp 1225.45 NIST
Inp 1228.09 NIST
Inp 1230.89 NIST
Inp 1233.68 NIST
Inp 1207.12 NIST
Inp 1209.05 NIST
Inp 1211.09 NIST
Inp 1220.40 NIST
Inp 1216.00 NIST
Inp 1223.00 NIST
Inp 1216.00 NIST
Inp 1214.00 NIST
Inp 1249.00 NIST
Inp 1245.00 NIST
Inp 1244.00 NIST
Inp 1244.00 NIST
Inp 1244.00 NIST
Inp 1242.00 NIST
Inp 1236.00 NIST
Inp 1227.00 NIST
Inp 1256.00 NIST
Inp 1248.00 NIST
Inp 1222.00 NIST
Inp 1239.00 NIST
Inp 1240.00 NIST
Inp 1241.00 NIST
Inp 1217.00 NIST
Inp 1238.00 NIST
Inp 1215.00 NIST
Inp 1222.00 NIST
Inp 1222.00 NIST
Inp 1240.00 NIST
Inp 1228.00 NIST
Inp 1220.00 NIST
Inp 1239.00 NIST
Inp 1243.00 NIST
Inp 1242.00 NIST
Inp 1231.00 NIST
Inp 1244.00 NIST
Inp 1245.00 NIST
Inp 1245.00 NIST
Inp 1214.00 NIST
Inp 1211.00 NIST
Inp 1240.00 NIST
Inp 1235.00 NIST
Inp 1214.00 NIST
Inp 1218.00 NIST
Inp 1216.00 NIST
Inp 1214.00 NIST
Inp 1237.00 NIST
Inp 1213.00 NIST
Inp 1235.00 NIST
Inp 1221.00 NIST
Inp 1235.00 NIST
Inp 1213.00 NIST
Inp 1214.00 NIST
Inp 1236.00 NIST
Inp 1240.00 NIST
Inp 1242.00 NIST
Inp 1231.00 NIST
Inp 1236.00 NIST
Inp 1242.00 NIST
Inp 1240.00 NIST
Inp 1241.00 NIST
Inp 1244.00 NIST
Inp 1238.00 NIST
Inp 1214.00 NIST
Inp 1212.00 NIST
Inp 1215.00 NIST
Inp 1215.00 NIST
Inp 1215.00 NIST
Inp 1235.00 NIST
Inp 1214.00 NIST
Inp Outlier 1273.00 NIST
Inp 1241.00 NIST
Inp 1247.00 NIST
Inp 1245.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1244.00 NIST
Inp 1242.00 NIST
Inp 1231.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1213.00 NIST
Inp 1241.00 NIST
Inp 1212.00 NIST
Inp 1239.00 NIST
Inp 1214.00 NIST
Inp 1215.00 NIST
Inp 1215.00 NIST
Inp 1247.00 NIST
Inp 1228.00 NIST
Inp 1213.00 NIST
Inp 1213.00 NIST
Inp 1215.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1225.00 NIST
Inp 1213.00 NIST
Inp 1248.00 NIST
Inp 1231.00 NIST
Inp 1231.00 NIST
Inp 1218.00 NIST
Inp 1213.00 NIST
Inp 1213.00 NIST
Inp 1228.00 NIST
Inp 1241.00 NIST
Inp 1220.00 NIST
Inp 1208.00 NIST
Inp 1231.00 NIST
Inp 1218.00 NIST
Inp 1219.00 NIST
Inp 1213.00 NIST
Inp 1248.00 NIST
Inp 1238.00 NIST
Inp 1235.00 NIST
Inp 1238.00 NIST
Inp 1248.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1237.00 NIST
Inp 1237.00 NIST
Inp 1235.00 NIST
Inp 1240.00 NIST
Inp 1238.00 NIST
Inp 1239.00 NIST
Inp 1231.00 NIST
Inp 1240.00 NIST
Inp 1241.00 NIST
Inp 1239.00 NIST
Inp 1249.00 NIST
Inp 1241.00 NIST
Inp 1244.00 NIST
Inp Outlier 1276.00 NIST
Inp 1236.00 NIST
Inp 1242.00 NIST
Inp 1244.00 NIST
Inp 1239.00 NIST
Inp 1216.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1220.00 NIST
Inp 1216.00 NIST
Inp 1251.00 NIST
Inp 1250.00 NIST
Inp 1250.00 NIST
Inp 1251.00 NIST
Inp 1251.00 NIST
Inp 1252.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1262.00 NIST
Inp 1227.00 NIST
Inp Outlier 1268.00 NIST
Inp 1236.00 NIST
Inp 1240.00 NIST
Inp 1208.00 NIST
Inp 1215.00 NIST
Inp 1208.00 NIST
Inp 1240.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1242.00 NIST
Inp 1230.00 NIST
Inp 1249.00 NIST
Inp 1220.00 NIST
Inp 1248.00 NIST
Inp 1235.00 NIST
Inp 1244.00 NIST
Inp 1215.00 NIST
Inp 1245.00 NIST
Inp 1236.00 NIST
Inp 1237.00 NIST
Inp Outlier 1265.00 NIST
Inp 1211.00 NIST
Inp 1240.00 NIST
Inp 1243.00 NIST
Inp 1240.00 NIST
Inp 1244.00 NIST
Inp 1239.00 NIST
Inp Outlier 1278.00 NIST
Inp 1213.00 NIST
Inp 1223.00 NIST
Inp 1240.00 NIST
Inp 1217.00 NIST
Inp 1204.00 NIST
Inp 1241.00 NIST
Inp 1220.00 NIST
Inp 1223.00 NIST
Inp 1227.00 NIST
Inp 1232.00 NIST
Inp 1238.00 NIST
Inp 1228.00 NIST
Inp 1240.00 NIST
Inp 1239.00 NIST
Inp 1217.00 NIST
Inp 1225.00 NIST
Inp 1238.00 NIST
Inp 1223.00 NIST
Inp 1209.00 NIST
Inp 1211.00 NIST
Inp 1218.00 NIST
Inp Outlier 1267.00 NIST
Inp 1213.00 NIST
Inp 1216.00 NIST
Inp 1237.00 NIST
Inp 1213.00 NIST
Inp 1234.00 NIST
Inp 1258.00 NIST
Inp 1242.00 NIST
Inp 1222.00 NIST
Inp 1217.00 NIST
Inp 1222.00 NIST
Inp 1215.00 NIST
Inp 1215.00 NIST
Inp 1212.00 NIST
Inp 1214.00 NIST
Inp 1218.00 NIST
Inp 1219.00 NIST
Inp 1213.00 NIST
Inp 1219.00 NIST
Inp 1225.00 NIST
Inp 1211.00 NIST
Inp 1227.00 NIST
Inp 1232.00 NIST
Inp 1240.00 NIST
Inp 1238.00 NIST
Inp 1243.00 NIST
Inp 1247.00 NIST
Inp 1241.00 NIST
Inp 1240.00 NIST
Inp 1247.00 NIST
Inp Outlier 1277.00 NIST
Inp Outlier 1271.00 NIST
Inp 1255.00 NIST
Inp 1240.00 NIST
Inp 1242.00 NIST
Inp 1240.00 NIST
Inp 1235.00 NIST
Inp 1226.00 NIST
Inp 1215.00 NIST
Inp 1240.00 NIST
Inp 1238.00 NIST
Inp 1244.00 NIST
Inp 1248.00 NIST
Inp 1235.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1237.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1217.00 NIST
Inp 1244.00 NIST
Inp 1242.00 NIST
Inp Outlier 1270.00 NIST
Inp Outlier 1270.00 NIST
Inp 1239.00 NIST
Inp 1237.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1244.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1238.00 NIST
Inp Outlier 1270.00 NIST
Inp 1215.00 NIST
Inp 1211.00 NIST
Inp 1227.00 NIST
Inp Outlier 1270.00 NIST
Inp 1218.00 NIST
Inp 1230.00 NIST
Inp Outlier 1277.00 NIST
Inp 1241.00 NIST
Inp 1240.00 NIST
Inp 1218.00 NIST
Inp 1227.00 NIST
Inp 1220.00 NIST
Inp 1222.00 NIST
Inp 1248.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1241.00 NIST
Inp 1215.00 NIST
Inp 1235.00 NIST
Inp Outlier 1270.00 NIST
Inp 1213.25 NIST
Inp 1225.45 NIST
Inp 1209.05 NIST
Inp 1216.00 NIST
I [1630.00; 1729.00]   Show Hide
I 1715.00 NIST
I 1703.00 NIST
I 1706.00 NIST
I 1676.00 NIST
I 1689.00 NIST
I 1719.00 NIST
I 1696.00 NIST
I 1673.00 NIST
I 1681.00 NIST
I 1678.00 NIST
I 1679.00 NIST
I 1679.00 NIST
I 1678.00 NIST
I 1695.00 NIST
I 1660.00 NIST
I 1663.00 NIST
I 1692.00 NIST
I 1686.00 NIST
I Outlier 1633.00 NIST
I 1662.00 NIST
I 1645.00 NIST
I 1656.00 NIST
I Outlier 1633.00 NIST
I 1705.00 NIST
I 1705.00 NIST
I 1695.00 NIST
I 1667.00 NIST
I 1663.00 NIST
I 1690.00 NIST
I 1641.00 NIST
I 1641.00 NIST
I 1645.00 NIST
I 1674.00 NIST
I 1659.00 NIST
I 1677.00 NIST
I 1693.00 NIST
I 1674.00 NIST
I Outlier 1633.00 NIST
I 1641.00 NIST
I 1663.00 NIST
I 1662.00 NIST
I 1697.00 NIST
I 1682.00 NIST
I 1682.00 NIST
I 1697.00 NIST
I 1674.00 NIST
I 1645.00 NIST
I 1674.00 NIST
I 1674.00 NIST
I 1680.00 NIST
I Outlier 1632.00 NIST
I 1702.00 NIST
I 1666.00 NIST
I 1704.00 NIST
I 1679.00 NIST
I 1658.00 NIST
I Outlier 1724.00 NIST
I 1666.00 NIST
I 1665.00 NIST
I 1671.00 NIST
I 1678.00 NIST
I 1679.00 NIST
I 1680.00 NIST
I 1687.00 NIST
I 1666.00 NIST
I 1686.00 NIST
I 1646.00 NIST
I 1706.00 NIST
I 1650.00 NIST
I 1667.00 NIST
I 1694.00 NIST
I 1676.00 NIST
I 1691.00 NIST
I 1690.00 NIST
I 1670.00 NIST
I 1647.00 NIST
I 1685.00 NIST
I 1688.00 NIST
I 1678.00 NIST
I 1679.00 NIST
I 1680.00 NIST
I 1685.00 NIST
I 1645.00 NIST
I 1682.00 NIST
I 1680.00 NIST
I 1676.00 NIST
I Outlier 1633.00 NIST
I 1675.00 NIST
I 1677.00 NIST
I 1693.00 NIST
I 1641.00 NIST
I 1686.00 NIST
I 1686.00 NIST
I 1675.00 NIST
I 1698.00 NIST
I 1696.00 NIST
I 1676.00 NIST
I 1676.00 NIST
I 1688.00 NIST
I 1691.00 NIST
I 1680.00 NIST
I 1697.00 NIST
I 1697.00 NIST
I 1641.00 NIST
I 1682.00 NIST
I 1680.00 NIST
I 1669.00 NIST
I 1671.00 NIST
I 1664.00 NIST
I 1675.00 NIST
I 1688.00 NIST
I 1688.00 NIST
I 1680.00 NIST
I 1674.00 NIST
I 1677.00 NIST
I 1681.00 NIST
I 1682.00 NIST
I 1682.00 NIST
I 1697.00 NIST
I 1702.00 NIST
I 1695.00 NIST
I 1676.00 NIST
I 1702.00 NIST
I 1673.00 NIST
I 1674.00 NIST
I 1702.00 NIST
I 1702.00 NIST
I 1702.00 NIST
I 1702.00 NIST
I 1702.00 NIST
I 1702.00 NIST
I 1692.00 NIST
I Outlier 1630.00 NIST
I 1705.00 NIST
I 1649.00 NIST
I 1649.00 NIST
I 1679.00 NIST
I 1680.00 NIST
I 1696.00 NIST
I 1699.00 NIST
I 1686.00 NIST
I 1656.00 NIST
I 1694.00 NIST
I 1662.00 NIST
I 1676.00 NIST
I 1671.00 NIST
I 1671.00 NIST
I 1680.00 NIST
I 1694.00 NIST
I 1694.00 NIST
I Outlier 1720.00 NIST
I Outlier 1729.00 NIST
I 1694.00 NIST
I 1705.00 NIST
I 1666.00 NIST
I 1680.00 NIST
I 1694.00 NIST
I 1647.00 NIST
I 1680.00 NIST
I 1676.00 NIST
I 1641.00 NIST
I 1696.00 NIST
I 1688.00 NIST
I 1681.00 NIST
I 1695.00 NIST
I 1702.00 NIST
I 1649.00 NIST
I 1686.00 NIST
I 1671.00 NIST
I Outlier 1720.00 NIST
I 1679.00 NIST
I 1692.00 NIST
I 1656.00 NIST
I 1667.00 NIST
I 1645.00 NIST
I 1674.00 NIST
I 1697.00 NIST
I Outlier 1724.00 NIST
Tboil 484.94 K Joback Calculated Property
Tc 675.98 K Joback Calculated Property
Tfus 206.38 K Joback Calculated Property
Vc 0.575 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [309.04; 381.76] J/mol×K [484.94; 675.98] Show Hide
Cp,gas 309.04 J/mol×K 484.94 Joback Calculated Property
Cp,gas 322.90 J/mol×K 516.78 Joback Calculated Property
Cp,gas 336.01 J/mol×K 548.62 Joback Calculated Property
Cp,gas 348.41 J/mol×K 580.46 Joback Calculated Property
Cp,gas 360.14 J/mol×K 612.30 Joback Calculated Property
Cp,gas 371.25 J/mol×K 644.14 Joback Calculated Property
Cp,gas 381.76 J/mol×K 675.98 Joback Calculated Property

Similar Compounds

2,6-Octadienal, 3,7-dimethyl-. 2,6-Octadienal, 3,7-dimethyl-, (E)-. 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (Z,E)-. (E,Z)-2,6-Farnesal. 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-. (E,Z)-Farnesal. 3,7-Nonadien-2-one, 4,8-dimethyl-. 2,6-Octadiene, 2,6-dimethyl-. 2,6-Dimethyl-2-trans-6-octadiene. 2,6-Dimethyl-2-trans-6-octadiene. 1,5-Cyclooctadiene, 1,5-dimethyl-. Supraene. Squalene. 11-methylsqualene. 2-cis,6-cis-Farnesol.

Find more compounds similar to 2,6-Octadienal, 3,7-dimethyl-, (Z)-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.