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Nerolidol

Nerolidol structure

Nerolidol 

structure
  • CAS No:

    7212-44-4

  • Formula:

    C15H26O

  • Chemical Name:

    Nerolidol

  • 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

  • Categories:

    Cosmetic Ingredient  >  Perfuming

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

Nerolidol Basic Attributes

222.37

222.37

1724135

230-597-5

DTXSID3022247

29052290

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.

Drug Information

3,7,11-trimethyl-1,6,10-dodecatrien-3-ol

Nerolidol Use and Manufacturing

Methods of 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.

Uses

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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