EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isobutyl linalool
1,6-decadien-3-ol, 3,7,9-trimethyl-

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Fragrance Demo Formulas
Name:(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol
CAS Number: 56105-46-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:259-994-1
Nikkaji Web:J296.569K
Beilstein Number:1760968
XlogP3-AA:4.00 (est)
Molecular Weight:196.33348000
Formula:C13 H24 O
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 271.00 to 273.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 209.00 °F. TCC ( 98.20 °C. ) (est)
logP (o/w): 4.167 (est)
Soluble in:
 alcohol
 water, 12.21 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
3,7,9-Trimethyldeca-1,6-dien-3-ol
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 837, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 837, 1979.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for isobutyl linalool usage levels up to:
  20.0000 % in the fragrance concentrate.
 
Recommendation for isobutyl linalool flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):56105-46-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6434518
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol
Chemidplus:0056105465
 
References:
 (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:56105-46-5
Pubchem (cid):6434518
Pubchem (sid):135003338
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,6-decadien-3-ol, 3,7,9-trimethyl-
3,7,9-trimethyl deca-1,6-dien-3-ol
3,7,9-trimethyl-1,6-decadien-3-ol
(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol
3,7,9-trimethyldeca-1,6-dien-3-ol
 

Articles:

PubMed:Pomegranate juice adulteration by addition of grape or peach juices.
PubMed:Linalool from rosewood (Aniba rosaeodora Ducke) oil inhibits adenylate cyclase in the retina, contributing to understanding its biological activity.
PubMed:Volatile and capsaicinoid composition of ají (Capsicum baccatum) and rocoto (Capsicum pubescens), two Andean species of chile peppers.
PubMed:Impact of phase ratio, polydimethylsiloxane volume and size, and sampling temperature and time on headspace sorptive extraction recovery of some volatile compounds in the essential oil field.
PubMed:The role of non-Saccharomyces species in releasing glycosidic bound fraction of grape aroma components--a preliminary study.
PubMed:Volatile components of green walnut husks.
PubMed:Ligand-binding properties and structural characterization of a novel rat odorant-binding protein variant.
PubMed:A New Linalool Derivative and Other Constituents from Piper ribesoides.
 
Notes:
None found
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