trans-Nerolidol
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trans-Nerolidol
structure -
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CAS No:
40716-66-3
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Formula:
C15H26O
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Chemical Name:
trans-Nerolidol
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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;trans-Nerolidol;(±)-trans-Nerolidol;(6E)-Nerolidol;1-Geranyl-2-methyl-3-buten-2-ol;(E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol;(E)-Nerolidol;(6E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol;Nerolidol B;(6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol;(E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol;2211-29-2;2381218-06-8
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CAS No:
Description
Colourless or very pale straw-coloured oily liquid; Faint woody-floral, slightly rose apple aroma
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 a flavouring agent, a cosmetic, a pheromone, a neuroprotective agent, an antifungal agent, an anti-inflammatory agent, an antihypertensive agent, an antioxidant, a volatile oil component, an insect attractant and a herbicide. It is a farnesane sesquiterpenoid, a tertiary allylic alcohol and a volatile organic compound.
Characteristics
20.2
5.32
Colourless or very pale straw-coloured oily liquid; Faint woody-floral, slightly rose apple aroma
0.9±0.1 g/cm3
113 °C @ Press: 0.4 Torr
230 °F
1.480
Soluble in most fixed oils and propylene glycol; slightly soluble in water; insoluble in glycerol
-20°C
Safety Information
NONH for all modes of transport
1
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (13.97%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 272 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (16.33%): Causes skin irritation [Warning Skin corrosion/irritation]|Aggregated GHS information provided by 245 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H317 (12.68%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501|Aggregated GHS information provided by 2186 companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
trans-Nerolidol Use and Manufacturing
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:222.37
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:222.198365449
Monoisotopic Mass:222.198365449
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:269
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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