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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINALOOL, (+)-

SMILES

CC(C)=CCC[C@](C)(O)C=C

InChI

InChIKey=CDOSHBSSFJOMGT-SNVBAGLBSA-N
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/25637759

Linalool, (+)- is a fragrance ingredient used in decorative cosmetics, fine fragrances, shampoos, toilet soaps and other toiletries as well as in non-cosmetic products such as household cleaners and detergents. Its use worldwide is in the region of less than 0.1 metric tonnes per annum. The maximum skin level that results from the use of d-linalool in formulae that go into fine fragrances has been reported to be 0.13% assuming use of the fragrance oil at levels up to 20% in the final product. Linalool is used by pest professionals as a flea, fruit fly, and cockroach insecticide. It can also be used a method of pest control for codling moths. Linalool creates a synergistic effect with the codling moth's pheromone called codlemone, which increases the attraction of males. Linalool can be absorbed by inhalation of its aerosol and by oral intake or skin absorption, potentially causing irritation, pain and allergic reactions.

Originator

Sources: Journal of the Chemical Society, Transactions (1902), 81, 59-73.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Unknown

Approved Use

Unknown
Inactive ingredient
Obao Sensitive Passion

Approved Use

Reduces underarm persperation. Apply under arm only.
PubMed

PubMed

TitleDatePubMed
Fragrance material review on d-linalool.
2008 Nov
Patents

Patents

Sample Use Guides

The 97.5 percentile use level in formulae for use in cosmetics in general has been reported to be 1.8%, which would result in a conservative calculated maximum daily exposure on the skin of 0.0459 mg/kg for high end users of these products.
Route of Administration: Topical
A series of in vitro human skin penetration studieswere conducted with 4% linalool under in-use (unoccluded) and occluded conditions in diethyl phthalate (DEP), dipropylene glycol (DPG), ethanol/water, petrolatum, ethanol/DEP or ethanol/DPG vehicles.Twelve active dosed diffusion cells were prepared from seven donors for each application condition (unoccluded, occluded, and an unoccluded control cell). Epidermalmembranes were used, and their integrity was assessed by measuring the permeation rate of tritiated water over a period of 1 h. Permeation of linalool froma 5 μl/cm2 dosewas then measured at 12 time-points over 24 h. Occluded conditions reduced the loss of volatile application vehicles and test compounds but may have also increased skin hydration, factors which caused a significant increase in the permeation of linalool. Under unoccluded experimental conditions, there was a gradual but comprehensive evaporative loss. Total absorbed dose values from an unoccluded application ranged from 1.8% to 3.57% (DPG < ethanol/ DPG < ethanol/DEP < DEP < petrolatum < ethanol/water). Total absorbed dose values from an occluded application ranged from 5.73% to 14.4% (DEP < ethanol/DEP < DPG < petrolatum < ethanol/DPG < ethanol/ water). Conservatively, 14.4% dermal absorption was selected for this safety assessment.
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:07:47 GMT 2023
Edited
by admin
on Fri Dec 15 15:07:47 GMT 2023
Record UNII
F4VNO44C09
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINALOOL, (+)-
Systematic Name English
LINALOOL, D-
Common Name English
1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (3S)-
Systematic Name English
CORIANDROL
Common Name English
LINALOOL S-(+)-FORM [MI]
Common Name English
D-LINALOOL
Common Name English
(S)-(+)-LINALOOL
Systematic Name English
(+)-.BETA.-LINALOOL
Common Name English
LINALOOL S-(+)-FORM
MI  
Common Name English
Code System Code Type Description
DAILYMED
F4VNO44C09
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY
MERCK INDEX
m6820
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY Merck Index
CHEBI
98
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY
PUBCHEM
67179
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID40883319
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY
FDA UNII
F4VNO44C09
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY
CAS
126-90-9
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-810-7
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY
RXCUI
1430254
Created by admin on Fri Dec 15 15:07:47 GMT 2023 , Edited by admin on Fri Dec 15 15:07:47 GMT 2023
PRIMARY RxNorm
Related Record Type Details
CONSTITUENT ALWAYS PRESENT -> PARENT
ASSAY (GC)
Related Record Type Details
PARENT -> IMPURITY
ASSAY (GC)