1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
Completing data — refresh the page later to see the latest
Basic information
- CAS
142-50-7- Standard SMILES
C=CC(C)(O)CC/C=C(/C)CCC=C(C)C- InChIKey
FQTLCLSUCSAZDY-KAMYIIQDSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
(6Z)-nerolidol is a nerolidol in which the double bond at position 6 adopts a cis-configuration.
Names & identifiers
- Preferred name
- 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
- IUPAC
- (6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
- English name
- CIS-NEROLIDOL
- Molecular formula
- C15H26O
- Molecular weight
- 222.37
Names & synonyms
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (S-(Z))-RefChem:417467cis-Nerolidol3790-78-1(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-olNerolidol cis-form(Z)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol(6Z)-nerolidolDTXSID1047239Nerolidol, cis-(+)-81K23DEF7B
Show more names
NEROLIDOL, CIS-(Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-olEinecs 223-263-5NEROLIDOL, cis-(SG)CIS-NEROLIDOL WITH GCTeprenone Impurity 21cis-Nerolidal solution
SCHEMBL7057492NSC 60598PeruviolTeprenone Impurity 33,7,11-Trimethyl-1,6,10-dodecatriene-3-ol, (Z)-(S)-(+)-(+)-Nerolidol1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)-MFCD00085350
Database identifiers
- CAS
142-50-7、3790-78-1- PubChem CID
- 5320128
- DTXSID
DTXSID1047239
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 70 °C0.1 · 70 °C0.1 mm Hg(lit.)
- Density
- 0.876 g/mL · 0.876 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.478(lit.)
- Flash point
- 96 ℃ · 96℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Odor
- 100 % · at 100.00 %. waxy floral
- Odor Type
- waxy
- BRN
- 1724137 · 1724137
- InChI
- 1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-
- InChIKey
- FQTLCLSUCSAZDY-KAMYIIQDSA-N
- SMILES
- C\C(C)=C\CC\C(C)=C/CCC(C)(O)C=C
- LogP
- 4.682 · 4.682 (est)
- FDA UNII
- 81 K23DEF7B · 81K23DEF7B
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
Usescis-Nerolidol is one of the main component in the essential oils from fresh aerial parts of Thymus ciliatus (Lamiaceae). Also, it is a terpene that displays high potency on the contractility of cardiac muscle in guinea pig left atrium. A potential and effective treatment for malaria.
Additional notes
DefinitionChEBI: (6Z)-nerolidol is a nerolidol in which the double bond at position 6 adopts a cis-configuration.
Suppliers
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Related reactions
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Compound notes
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