(S)-(-)-citronellal
(S)-3,7-dimethyl-6-octenal
 
Notes:
Reported from oils of Backhousia citriodora and Mauritius papeda (Citrus hystrix)
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      Product(s):
      C1454 (-)-Citronellal >96.0%(GC)
       
Synonyms   Articles   Notes   Search
(3S)-3,7-dimethyloct-6-enal (Click)
CAS Number: 5949-05-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 227-707-9
Nikkaji Web: J66.806K
Beilstein Number: 1720790
MDL: MFCD00075588
XlogP3-AA: 3.00 (est)
Molecular Weight: 154.25266000
Formula: C10 H18 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and 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
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.85100 @  25.00 °C.
Refractive Index: 1.44600 @  20.00 °C.
Boiling Point: 208.00 to  209.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.215000 mm/Hg @ 25.00 °C. (est)
Flash Point: 168.00 °F. TCC ( 75.56 °C. )
logP (o/w): 3.482 (est)
Soluble in:
 alcohol
 water, 38.94 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: citrus
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 clean  herbal  citrus  
Odor Description:
at 10.00 % in dipropylene glycol. 
clean herbal citrus
  
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Cosmetic Information:
None found
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Suppliers:
ExtraSynthese
For experimental / research use only.
(-)-Citronellal (GC) ≥95% (sum of enantiomers)
Santa Cruz Biotechnology
For experimental / research use only.
(S)-(-)-Citronellal
Sigma-Aldrich: Aldrich
For experimental / research use only.
(S)-(-)-Citronellal 96%
TCI AMERICA
For experimental / research use only.
(-)-Citronellal >96.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (S)-(-)-citronellal usage levels up to:
  2.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 5949-05-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 443157
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 (3S)-3,7-dimethyloct-6-enal
Chemidplus: 0005949053
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References:
Leffingwell: chirality
 (3S)-3,7-dimethyloct-6-enal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5949-05-3
Pubchem (cid): 443157
Pubchem (sid): 135067145
Pherobase: View
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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
CHEBI: View
CHEMBL: View
KEGG (GenomeNet): C11384
HMDB (The Human Metabolome Database): HMDB35842
FooDB: FDB014618
Export Tariff Code: 2912.19.2000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
For Odor
aldehydic
N/i-tridecanalFR
balsamic
 benzyl salicylateFL/FR
citrus
 jambu flower oil brazil 
 ocimene quintoxideFL/FR
 tetrahydromyrcenyl acetateFR
 verbena absolute franceFL/FR
floral
 cilantro herb oil egyptFL/FR
 dihydrojasmoneFL/FR
 dihydromyrceneFR
 geranyl tiglateFL/FR
 methyl nerate 
(Z)-rose oxideFL/FR
 tetrahydrolinaloolFL/FR
fruity
 ocimen-1-yl acetateFR
green
 agrumen aldehydeFR
 cilantro leaf oilFL/FR
3,5,6-neocyclocitralFR
3,6-ivy carbaldehydeFL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
 acorus calamus rhizome oilFR
 buchu oximeFR
(R)-(+)-citronellalFL/FR
 citrus ocimenol acetateFR
 eucalyptus citriodora oilFR
 freesia heptanolFL/FR
 geranic oxideFL/FR
cis-herbal cyclohexaneFR
 jambu oleoresinFL/FR
 petitgrain heptaneFR
 saffron pyranoneFR
oswego tea specialtyFR
2,4,6-trimethyl-6-(3-methyl-2-buten-1-yl)-2-cyclohexen-1-one 
minty
 betula lenta bark oil americaFL/FR
beta-cyclocitralFL/FR
pine
 dipentene terpene hydrocarbon byproductsFR
spicy
 cubeb oil CO2 extract (piper cubeba)FL/FR
 ginger oleoresin africaFL/FR
 ginger root oil cochinFL/FR
terpenic
gamma-terpineneFL/FR
waxy
 decanal dimethyl acetalFL/FR
woody
 polylimoneneFL/FR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
(R)-(+)-citronellalFL/FR
beta-cyclocitralFL/FR
 decanal dimethyl acetalFL/FR
2-heptyl cyclopropane carboxylic acidFL
3,6-ivy carbaldehydeFL/FR
 jambu flower oil brazil 
 methyl nerate 
3-octyl butyrateFL
 polylimoneneFL/FR
2,4,6-trimethyl-6-(3-methyl-2-buten-1-yl)-2-cyclohexen-1-one 
(E)-4-undecenalFL
balsamic
 benzyl salicylateFL/FR
camphoreous
 geranic oxideFL/FR
citrus
 cilantro leaf oilFL/FR
 freesia heptanolFL/FR
 verbena absolute franceFL/FR
cooling
 jambu oleoresinFL/FR
floral
 dihydrojasmoneFL/FR
 geranyl tiglateFL/FR
 tetrahydrolinaloolFL/FR
green
 ocimene quintoxideFL/FR
(Z)-rose oxideFL/FR
herbal
 cilantro herb oil egyptFL/FR
minty
 betula lenta bark oil americaFL/FR
spicy
 cubeb oil CO2 extract (piper cubeba)FL/FR
 ginger oleoresin africaFL/FR
 ginger root oil cochinFL/FR
terpenic
gamma-terpineneFL/FR
 
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Potential Uses:
 citronellaFL/FR
 citrusFR
 eucalyptusFL/FR
 herbalFR
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Occurrence (nature, food, other): note
 backhousia citriodora
Search Trop  Picture
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Synonyms:
(3S)-(-)-citronellal
(S)-3,7-dimethyl oct-6-enal
(3S)-3,7-dimethyl-6-octenal
(S)-3,7-dimethyl-6-octenal
(3S)-3,7-dimethyloct-6-enal
(S)-3,7-dimethyloct-6-enal
6-octenal, 3,7-dimethyl-, (3S)-
6-octenal, 3,7-dimethyl-, (S)-
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Biotransformations of terpenes by fungi from Amazonian citrus plants.
PubMed: Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle.
PubMed: Contact and fumigant toxicity of Cyperus rotundus steam distillate constituents and related compounds to insecticide-susceptible and -resistant Blattella germanica.
PubMed: Nature-inspired total synthesis of (-)-fusarisetin A.
PubMed: Towards preparative-scale, biocatalytic alkene reductions.
PubMed: Pyrrolidinyl-camphor derivatives as a new class of organocatalyst for direct asymmetric Michael addition of aldehydes and ketones to beta-nitroalkenes.
PubMed: Chemical composition of the defensive secretion of the longhorned beetle, Chloridolum loochooanum.
PubMed: Structural determinants of odorant recognition by the human olfactory receptors OR1A1 and OR1A2.
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