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Trans-Nerolidol (>90%)

CAT: 0572-TRC-N385810-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N385810-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40716-66-3
Synonyms
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (6E)-; 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-; (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; (6E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol; (6E)-Nerolidol; (E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; (E)-Nerolidol; (±)-trans-Nerolidol; 1-Geranyl-2-methyl-3-buten-2-ol; Nerolidol B; trans-Nerolidol
Hazard Statement
Causes serious eye irritation; UN number: UN3082; Packing Group: III
Smiles
CC(=CCC\C(=C\CCC(C)(O)C=C)\C)C
Molecular Formula
C15 H26 O
Molecular Weight
222.37
InChI
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+
Additionnal Information
IUPAC name: (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Nerolidol

Nerolidol is a farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent. It has a role as an antioxidant, a herbicide, an insect attractant, a pheromone, a volatile oil component, a flavouring agent, an antihypertensive agent, an antifungal agent, a neuroprotective agent, a cosmetic and an anti-inflammatory agent. It is a volatile organic compound, a tertiary allylic alcohol and a farnesane sesquiterpenoid.

CAS Number40716-66-3
PubChem CID5284507
IUPAC Name(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Molecular FormulaC15H26O
Molecular Weight222.37
XLogP4.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity269
SMILES
CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
InChI
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-SDNWHVSQSA-N
Chemical Structure
2D Structure
2D structure of Nerolidol
CAS: 40716-66-3
CID: 5284507
Formula: C15H26O
MW: 222.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.37
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass222.198365449
Monoisotopic Mass222.198365449
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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