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

(S)-(-)-citronellal
(S)-3,7-dimethyl-6-octenal

Sponsors

Name:(3S)-3,7-dimethyloct-6-enal
CAS Number: 5949-05-3Picture of molecule3D/inchi
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
 
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 to 0.85600 @ 20.00 °C.
Pounds per Gallon - (est).: 7.089 to 7.131
Refractive Index:1.44500 to 1.44800 @ 20.00 °C.
Optical Rotation:-18.0 to -13.0
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
 
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
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(S)-(-)-3,7-Dimethyl-6-octenal 95%
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)
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (S)-(-)-citronellal usage levels up to:
  2.0000 % in the fragrance concentrate.
 
 
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
 
References:
Leffingwell:Chirality or Article
 (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
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
N/i-
tridecanal
FR
balsamic
benzyl salicylate
FL/FR
citrus
ocimene quintoxide
FL/FR
tetrahydromyrcenyl acetate
FR
verbena absolute france
FL/FR
floral
cilantro herb oil egypt
FL/FR
dihydrojasmone
FL/FR
dihydromyrcene
FR
geranyl tiglate
FL/FR
(Z)-
rose oxide
FL/FR
tetrahydrolinalool
FL/FR
fruity
ocimen-1-yl acetate
FR
green
agrumen aldehyde
FR
cilantro leaf oil
FL/FR
3,5,6-neo
cyclocitral
FR
3,6-
ivy carbaldehyde
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
acorus calamus rhizome oil
FR
buchu oxime
FR
(R)-(+)-
citronellal
FL/FR
citrus ocimenol acetate
FR
eucalyptus citriodora oil
FR
freesia heptanol
FL/FR
geranic oxide
FL/FR
cis-
herbal cyclohexane
FR
jambu oleoresin
FL/FR
petitgrain heptane
FR
saffron pyranone
FR
oswego
tea specialty
FR
minty
betula lenta bark oil america
FL/FR
pine
dipentene terpene hydrocarbon byproducts
FR
spicy
cubeb oil CO2 extract (piper cubeba)
FL/FR
ginger oleoresin africa
FL/FR
ginger root oil cochin
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
decanal dimethyl acetal
FL/FR
woody
polylimonene
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
(R)-(+)-
citronellal
FL/FR
decanal dimethyl acetal
FL/FR
2-
heptyl cyclopropane carboxylic acid
FL
3-
octyl butyrate
FL
polylimonene
FL/FR
(E)-4-
undecenal
FL
balsamic
balsamic
benzyl salicylate
FL/FR
camphoreous
geranic oxide
FL/FR
citrus
cilantro leaf oil
FL/FR
freesia heptanol
FL/FR
verbena absolute france
FL/FR
cooling
jambu oleoresin
FL/FR
floral
dihydrojasmone
FL/FR
geranyl tiglate
FL/FR
tetrahydrolinalool
FL/FR
green
3,6-
ivy carbaldehyde
FL/FR
ocimene quintoxide
FL/FR
(Z)-
rose oxide
FL/FR
herbal
cilantro herb oil egypt
FL/FR
minty
betula lenta bark oil america
FL/FR
spicy
cubeb oil CO2 extract (piper cubeba)
FL/FR
ginger oleoresin africa
FL/FR
ginger root oil cochin
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
beta-
cyclocitral
FL/FR
 
Potential Uses:
FL/FRcitronella
FRcitrus
FL/FReucalyptus
FRherbal
 
Occurrence (nature, food, other):note
 backhousia citriodora
Search Trop Picture
 
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)-
 

Articles:

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PubMed:Nature-inspired total synthesis of (-)-fusarisetin A.
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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.
 
Notes:
Reported from oils of Backhousia citriodora and Mauritius papeda (Citrus hystrix)
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