Nerolidol
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Nerolidol
structure -
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CAS No:
7212-44-4
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Formula:
C15H26O
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Chemical Name:
Nerolidol
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Synonyms:
1,6,10-Dodecatrien-3-ol,3,7,11-trimethyl-;Nerolidol;3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol;FCI 119b;(±)-Nerolidol;Nerodilol;35944-21-9
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CAS No:
Description
Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1].
Solid|Colourless or very pale straw-coloured oily liquid; Faint woody-floral, slightly rose apple aroma
Characteristics
20.23000
5.32
Clear slightly yellow Liquid
0.8739 g/cm3 @ Temp: 22 °C
<25 °C
122 °C
230 °F
1.480
H2O: immiscible
2-8°C
<1 hPa (20 °C)
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
0.7-4.5%(V)
Safety Information
UN 3082 9 / PGIII
2
36/37/38-50/53
26-36-61-60
JR4977000
Xi,N
Stable at room temperature in closed containers under normal storage and handling conditions.
P305 + P351 + P338
H319-H410
|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.
Nerolidol Use and Manufacturing
The Peruvian balsam oil, orange blossom oil, and sweet orange oil are prepared by vacuum fractionation, and a fraction of 98 to 102°C [53Pa (0.4 mmHg)] is prepared.
anti-ulcer, insect antifeedant
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-: ACTIVE|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
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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