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

(R)-(+)-citronellal
(R)-3,7-dimethyl-6-octenal

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CODE110648 CODE110648
Product(s):
2385-77-5 6-Octenal,3,7-dimethyl-, (3R)- >95.0%(GC)

Name:	(3R)-3,7-dimethyloct-6-enal
CAS Number:	2385-77-5	3D/inchi
Other(deleted CASRN):	951036-03-6
ECHA EINECS - REACH Pre-Reg:	219-194-5
FDA UNII:	Search
Nikkaji Web:	J43.580E
Beilstein Number:	1720791
MDL:	MFCD00067089
XlogP3-AA:	3.00 (est)
Molecular Weight:	154.25266000
Formula:	C10 H18 O
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge 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 to pale yellow clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.85100 @ 25.00 °C.
Refractive Index:	1.44800 @ 20.00 °C.
Boiling Point:	207.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.215000 mmHg @ 25.00 °C. (est)
Flash Point:	185.00 °F. TCC ( 85.00 °C. )
logP (o/w):	3.830
Soluble in:
	alcohol
	water, 38.94 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: herbal

fresh herbal citrus

Odor Description:at 100.00 %. fresh herbal citrus

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

For experimental / research use only.

6-Octenal,3,7-dimethyl-, (3R)- >95.0%(GC)

Santa Cruz Biotechnology

For experimental / research use only.

(R)-(+)-Citronellal

Sigma-Aldrich: Aldrich

For experimental / research use only.

(R)-(+)-Citronellal technical grade, 90%

Safety Information:

Preferred SDS: View

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

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):2385-77-5

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :75427

National Institute of Allergy and Infectious Diseases:Data

(3R)-3,7-dimethyloct-6-enal

Chemidplus:0002385775

References:

Leffingwell:	Chirality or Article
	(3R)-3,7-dimethyloct-6-enal
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	2385-77-5
Pubchem (cid):	75427
Pubchem (sid):	135031062
Pherobase:	View

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):	C09848
HMDB (The Human Metabolome Database):	HMDB35820
FooDB:	FDB014582
Export Tariff Code:	2912.19.2000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

For Odor

citrus

(S)-(-)-

citronellal
FL/FR

2-

ethyl-1-hexanol
FL/FR

ocimene quintoxide
FL/FR

panax quinquefolius root tincture
FL/FR

beta-

tetrahydromyrcenyl acetate
FR

floral

cilantro herb oil egypt
FL/FR

dihydromyrcene
FR

geranyl tiglate
FL/FR

undecanal dimethyl acetal
FR

fruity

ocimen-1-yl acetate
FR

green

agrumen aldehyde
FR

cilantro leaf oil
FL/FR

3,6-

ivy carbaldehyde
FL/FR

herbal

6-

acetoxydihydrotheaspirane
FL/FR

acorus calamus rhizome oil
FR

citrus ocimenol acetate
FR

eucalyptus citriodora oil
FR

freesia heptanol
FL/FR

geranic oxide
FL/FR

jambu oleoresin
FL/FR

petitgrain heptane
FR

saffron pyranone
FR

oswego

tea specialty
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

woody

polylimonene
FL/FR

For Flavor

No flavor group found for these

6-

acetoxydihydrotheaspirane
FL/FR

(S)-(-)-

citronellal
FL/FR

2-

heptyl cyclopropane carboxylic acid
FL

3-

octyl butyrate
FL

polylimonene
FL/FR

beta-

(E)-4-

panax quinquefolius root tincture
FL/FR

camphoreous

camphoreous

geranic oxide
FL/FR

citrus

cilantro leaf oil
FL/FR

freesia heptanol
FL/FR

cooling

jambu oleoresin
FL/FR

earthy

panax quinquefolius root extract
FL

fatty

2-

ethyl-1-hexanol
FL/FR

floral

geranyl tiglate
FL/FR

green

3,6-

ivy carbaldehyde
FL/FR

ocimene quintoxide
FL/FR

herbal

cilantro herb oil egypt
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

Potential Uses:

None Found

Occurrence (nature, food, other):note

	basil clove basil Search Trop Picture
	citronella oil Search PMC Picture
	eucalyptus oil Search Trop Picture
	lavender oil Search Trop Picture
	lemon balm shoot Search Trop Picture

Synonyms:

(3R)-(+)-	citronellal
(R)-3,7-	dimethyl oct-6-enal
(3R)-3,7-	dimethyl-6-octenal
(R)-3,7-	dimethyl-6-octenal
(3R)-3,7-	dimethyloct-6-enal
(R)-3,7-	dimethyloct-6-enal
6-	octenal, 3,7-dimethyl-, (3R)-
6-	octenal, 3,7-dimethyl-, (R)-

Articles:

PubMed:Repellent constituents of essential oil of Cymbopogon distans aerial parts against two stored-product insects.

PubMed:Inhibitory effects of terpenoids on multidrug resistance-associated protein 2- and breast cancer resistance protein-mediated transport.

PubMed:Enantioselective total synthesis of isishippuric acid B via intramolecular Michael reaction.

PubMed:First enantiospecific synthesis of (-)-parvifoline and (-)-curcuquinone.

PubMed:Inhibition of P-glycoprotein-mediated transport by terpenoids contained in herbal medicines and natural products.

PubMed:Effects of citronellal, a monoterpenoid in Zanthoxyli Fructus, on the intestinal absorption of digoxin in vitro and in vivo.

PubMed:Photochemical release of aldehydes from alpha-acetoxy nitroveratryl ethers.

PubMed:Inhibition of P-glycoprotein-mediated transport by extracts of and monoterpenoids contained in Zanthoxyli fructus.

PubMed:Characteristic odor components of Citrus sphaerocarpa Tanaka (Kabosu) cold-pressed peel oil.

Notes:

Constit. of citronella oil. Also in citrus, lavender, eucalyptus oils and others. Flavouring agent

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