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(+)-Nerolidol

(+)-Nerolidol structure

CAS No:
142-50-7
Formula:
C15H26O
Chemical Name:
(+)-Nerolidol
Synonyms:
1,6,10-Dodecatrien-3-ol,3,7,11-trimethyl-,(3S,6Z)-;1,6,10-Dodecatrien-3-ol,3,7,11-trimethyl-,(Z)-(S)-(+)-;Nerolidol;1,6,10-Dodecatrien-3-ol,3,7,11-trimethyl-,[S-(Z)]-;(3S,6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol;(+)-Nerolidol;Nerolidol,cis-(+)-;d-Nerolidol;Peruviol;cis-(+)-Nerolidol;(+)-cis-Nerolidol;(S)-cis-Nerolidol;NSC 60598;11055-57-5;14528-94-0
Categories:
Cosmetic Ingredient > Perfuming

Description

Colourless or very pale straw-coloured oily liquid; Faint woody-floral, slightly rose apple aroma

(3R,6E)-nerolidol is a (6E)-nerolidol in which the hydroxy group at positon 3 adopts an R-configuration. It is a fertility-related volatile compound secreted by the queens of higher termites from the subfamily Syntermitinae. It has a role as an animal metabolite. It is an enantiomer of a (3S,6E)-nerolidol.

(+)-Nerolidol Basic Attributes

Molecular Weight：

222.36600

Exact Mass：

222.37

EC Number：

230-597-5

UNII：

UOC0644V25

DSSTox ID：

DTXSID3022247

Characteristics

PSA：

20.23000

XLogP3：

4.39630

Appearance：

Solid

Density：

0.8778 g/cm³ @ Temp: 22 °C

Melting Point：

<25°C

Boiling Point：

276 °C

Flash Point：

96ºC

Refractive Index：

n20/D 1.478(lit.)

Water Solubility：

Soluble in most fixed oils and propylene glycol; slightly soluble in water; insoluble in glycerol

Vapor Pressure：

0.000616mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26;S36

Marks：

GHS Classification：

|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

MeSH Entry Terms：

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

(+)-Nerolidol Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

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
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (+)-Nerolidol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

(+)-Nerolidol

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