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PhysChem Properties
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(S)-(-)-citronellal

General Material Information

Preferred name	(S)-(-)-citronellal
Trivial Name	(S)-Citronellal
Short Description	(S)-3,7-dimethyl-6-octenal
Formula	C10 H18 O
CAS Number	5949-05-3
ECHA Number	227-707-9
FDA UNII	Search
Nikkaji Number	J66.806K
Beilstein Number	1720790
MDL	MFCD00075588
xLogP3-AA	3.00 (est)
NMR Predictor	External link
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)- (3S)-3,7-dimethyloct-6-enal 6-Octenal, 3,7-dimethyl-, (3S)- 6-Octenal, 3,7-dimethyl-, (-)- 6-Octenal, 3,7-dimethyl-, (S)- (3S)-3,7-Dimethyl-6-octenal (-)-Citronellal (S)-Citronellal L-Citronellal S-(-)-Citronellal (S)-(-)-3,7-Dimethyl-6-octenal (-)-β-Citronellal (-)-(S)-Citronellal L-(-)-Citronellal (S)-3,7-Dimethyloct-6-enal

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Literature & 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

Publications by PubMed
Biotransformations of terpenes by fungi from Amazonian citrus plants.
Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle.
Contact and fumigant toxicity of Cyperus rotundus steam distillate constituents and related compounds to insecticide-susceptible and -resistant Blattella germanica.
Nature-inspired total synthesis of (-)-fusarisetin A.
Towards preparative-scale, biocatalytic alkene reductions.
Pyrrolidinyl-camphor derivatives as a new class of organocatalyst for direct asymmetric Michael addition of aldehydes and ketones to beta-nitroalkenes.
Chemical composition of the defensive secretion of the longhorned beetle, Chloridolum loochooanum.
Structural determinants of odorant recognition by the human olfactory receptors OR1A1 and OR1A2.

Other Information

(IUPAC):	Atomic Weights of the Elements 2011 (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

Suppliers

BOC Sciences	ExtraSynthese
Santa Cruz Biotechnology	Sigma-Aldrich: Aldrich
TCI AMERICA

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	154.2526550293
Specific gravity	@ 20 °C
Pounds per Gallon	7.089 to 7.131
Refractive Index	1.445 to 1.448 @ 20 °C
Optical Rotation	-18 to -13
Boiling Point	208 to 209°C @ 760 mm Hg
Vapor Pressure	0.215 mmHg @ 25 °C
Flash Point TCC Value	75.56 °C TCC
logP (o/w)	3.482 est
Solubility
alcohol	Yes
water, 38.94 mg/L @ 25 °C (est)	Yes
water	No

Organoleptic Properties

Odor Type: Citrus
clean, herbal, citrus
General comment	At 10.00 % in dipropylene glycol. clean herbal citrus

Occurrences

Potential Uses

Applications	flavor and fragrance agents
Odor purposes	Citronella , Citrus , Eucalyptus oil replacer , Herbal

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect:
Dermal sensitization and systemic toxicity
	View the IFRA Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
0.41 %
Category 2: Products applied to the axillae
0.16 %
Category 3: Products applied to the face/body using fingertips
0.026 %
Category 4: Products related to fine fragrance
0.49 %
	Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
0.33 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.051 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.10 %
Category 5D: Baby Creams, baby Oils and baby talc
0.017 %
Category 6: Products with oral and lip exposure
0.82 %
	Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
0.077 %
Category 7B: Leave-on products applied to the hair with some hand contact
0.077 %
Category 8: Products with significant anogenital exposure
0.017 %
Category 9: Products with body and hand exposure, primarily rinse off
1.40 %
	Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
1.40 %
Category 10B: Household aerosol/spray products
2.30 %
	Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
0.017 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
0.017 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
No Restriction
	Notes:
IFRA FLAVOR REQUIREMENTS:
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

Safety references

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

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