citronellal
Suppliers  Organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC Name - 3,7-dimethyloct-6-enal
InChI - InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
InChIKey - NEHNMFOYXAPHSD-UHFFFAOYAH
SMILES - CC(CCC=C(C)C)CC=O
CAS Number : 106-23-0
(EINECS) Number :203-376-6
Beilstein Number :1720789
FEMA Number :2307
COE Number :110
Molar Refractivity :48.42 ± 0.3 cm3 (est)
Parachor :419.6 ± 4.0 cm3 (est)
Index of Refraction :1.437 ± 0.02 (est)
Surface Tension :26.6 ± 3.0 dyne/cm (est)
Density :0.835 ± 0.06 g/cm3 (est)
Polarizability :19.19 ± 0.5 10-24cm3 (est)
XlogP : 3.60 (est)
XlogP3-AA : 3.00 (est)
Molecular Weight : 154.2493200 (IUPAC) (PT) (112)
Formula :C10 H18 O
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Citronellal.
Fl@vouring Number : 05.021
FDA Mainterm : CITRONELLAL.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.

Suppliers :
Advanced Biotech :citronellal
85% min. natural
BASF :Citronellal
≥ 96% (CGC), sum of 6- and 7 -isomers
Odor:  Citrus, green, fruity, rose
It shows an intensive citrus-like odor but seems to be less sweet and fruity than Citral. The quality of this Aroma Chemical is very good and comparable to Citronella oil.
Flavor:  Pungent, fresh, green, citrus, slightly woody
Due to the rather unstable character of this aldehyde and intensity it is generally only used in traces for citrus flavors.
Berje :Citronellal ex Eucalyptus Citriodora
85/90%
Citrus and Allied Essences :Citronellal
85/90% FCC (natural)
Fleurchem :citronellal
natural
Fleurchem :citronellal
Moellhausen :citronellal
96% min. nature identical kosher
Odor:  fresh, citrus, floreal
Flavor:  green, aldehyde, fruity
Moellhausen :citronellal
85% min. natural kosher
Odor:  fresh, citrus, floreal
Flavor:  green, aldehyde, fruity
Mooreganics :Citronellal
Natural (Organic Compliant)
Odor:  strong, fresh, citrus, green
Nippon Terpene :Citronellal
95%
Payand Betrand :Citronellal
China, Natural Isolated Constituent
Penta :citronellal
Penta :citronellal
natural
Polarome :CITRONELLAL
NATURAL FCC
Robertet :Citronellal
naturel
SAFC Global® :(±)-Citronellal
≥80%, Kosher
Odor:  cherry; lemon; green; rose; sweet
SAFC Global® :(±)-Citronellal
≥85%, natural, FCC
Odor:  cherry; lemon; green; rose; sweet
Takasago :Citronellal Extra
≥85% as Citronellal
Odor:  Powerful, fresh, green-citrusy, slightly woody
Mainly used in citrus-lemongrass type fragrances.
Takasago :Citronellal Natural
≥85% as Citronellal
Odor:  Powerful, fresh, green-citrusy, slightly woody
Mainly used in citrus-lemongrass type fragrances.
Vigon :Citronellal
FCC Natural
Odor:  INTENSE, LEMON-CITRONELLA-ROSE
Vigon :Citronellal
Synthetic
Odor:  Citrus, green, fruity, rose

Organoleptics :
Odor Type :floral
Odor Strength :high ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol.  
sweet dry floral herbal waxy aldehydic citrus
Luebke, William tgsc, (1984)
Odor sample from :CA Aromatics Company Inc.
Odor Description:
Sweet, floral rosy waxy and citrus green
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
Taste Description:
at 10.00 ppm.  
Floral, green, rosy and citrus lemon
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
Substantivity :16  Hour(s)

Properties :
Appearence :colorless to pale yellow clear liquid
Food Chemicals Codex Listed :Yes
Vapor Pressure :0.28000 mm/Hg @ 25.00 °C.
Vapor Density :5.3 ( Air = 1 )
Flash Ppoint : 169.00  °F.  TCC  ( 76.11 °C. )
logP (o/w) : 3.48
Shelf Life : 12.00 month(s) or longer if stored properly.
Storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

Safety :
Most important hazard(s) :Xn N - Harmful, Dangerous for the environment.
  R 43 - May cause sensitisation by skin contact.
R 63 - Possible risk of harm to the unborn child.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
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.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Human Experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    2420.00  mg/kg
National Technical Information Service. Vol. OTS0557726

Intraperitoneal-Mouse    >200.00  mg/kg
National Technical Information Service. Vol. OTS0535480

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >2500.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 755, 1975.

Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavor and fragrance agents
Structure Class :I
 
Recommendation for citronellal fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
Recommendation for citronellal flavor usage levels up to :
  10.0000 ppm in the flavor.

Safety References :
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 
3,7-dimethyloct-6-enal
BioActivity Analysis :99554
(EINECS) Number :203-376-6
RTECS :RH2140000 for cas# 106-23-0
Chemidplus :000106230
EPA Substance Registry Services :106-23-0
dtp/nci :46106

References :
Leffingwell :chirality
 
3,7-dimethyloct-6-enal
NIST Chemistry WebBook :1733576178
Pubchem :150886
Flavornet :106-23-0

Cosmetics :
Cosmetic Uses : masking agents

Other :
Export Tariff Code :2912.19.000
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
(±)-citronellal
3,7-dimethyl-6-octen-1-al
3,7-dimethyl-6-octenal
3,7-dimethyloct-6-enal
 rhodinal
dextro-rhodinal

Soluble in :
 alcohol
 fixed oils
 water, 70 mg/L @ 25C (est)

Insoluble in :
 water
 glycerin

Stability :
 non-discoloring

Potential Blenders :    note
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 bois de rose oil brazilFL/FR
 butyl benzyl etherFL/FR
 citronellolFL/FR
 citronellyl ethyl etherFR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
 citrus propanolFR
 coranolFR
 cubeb oilFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
2,4-decadien-1-olFL/FR
isodecanalFL/FR
 decanal dimethyl acetalFL/FR
9-decen-1-alFL/FR
2-decen-1-olFL
9-decen-1-olFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 decyl butyrateFL/FR
 dihydrocarvyl acetateFL/FR
 dihydrocitronellyl ethyl etherFR
 dihydrolinaloolFL/FR
2,6-dimethyl octanalFL/FR
 dimethyl octanolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl nonanoateFL/FR
(Z)-beta-farnesene 
 farnesyl acetateFL/FR
 floral pyranFR
 geraniolFL/FR
 geranium rose-scented oil cubaFR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl butyrateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 green carbaldehydeFR
 green carboxylateFR
 hawthorn ethanolFR
2-heptyl tetrahydrofuranFR
 ho leaf oilFR
 ho wood oilFR
 hydroxycitronellal dimethyl acetalFL/FR
 lime octadienalFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
(Z)-linalool oxide (pyranoid)FL/FR
 linalyl anthranilateFL/FR
 linalyl formateFL/FR
 methyl 10-undecenoateFL/FR
 methyl acetoacetateFL
 methyl anthranilateFL/FR
 methyl heptenoneFL/FR
2-methyl octanalFL/FR
alpha-methylene citronellalFR
 musk acetateFR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
(E,E)-2,6-nonadien-1-alFL
 nonanal diethyl acetalFL/FR
 nonanal dimethyl acetalFL/FR
 nonanolFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 octanal (aldehyde C-8)FL/FR
 octanal dimethyl acetalFL/FR
 octyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl acetic acidFL/FR
 rhodinolFL/FR
 rose absolute bulgariaFL/FR
 rose butanoateFL/FR
laevo-rose oxideFL/FR
 strawberry glycidate 2FL/FR
 styralyl propionateFL/FR
(±)-alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tmh aldehydeFR
(E)-2-tridecen-1-alFL/FR
2-tridecen-1-alFL/FR
 undecanal (aldehyde C-11 undecylic)FL/FR
1-undecanolFL/FR
10-undecen-1-al (aldehyde C-11 undecylenic)FL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-yl acetateFR
 waxy acetateFR
 waxy nitrileFR

Potential Uses :
 basilFL/FR
 citronellaFL/FR
 citrusFR
 cologneFR
 eucalyptusFL/FR
 fruit punch 
 geraniumFR
 gingergrassFR
 greenFR
 honey mielFR
 lemonFR
 lemongrassFR
 mandarinFR
 melissa balmFL
 orangeFR
 plum mirabelleFR
 roseFR
 tangerineFR

Natural Occurrence in :    note
data pageartemisia vestita wall. flower oil @ 1.60% S
data pagebackhousia citriodora f. muell. leaf oil @ 0.30% S
data pagebergamot oil @ 0.005-0.030% S
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.045% S
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.027% S
data pageblood orange oil italy @ 0.038% S
 cardamom S
data pagecassinia laevis flower oil australia @ 0.40% S
data pagecassinia laevis leaf oil australia @ 0.50% S
data pagecinnamon leaf oil ceylon @ 0.07% S
 citronella  
data pagecitronella oil ceylon @ 6.09% S
data pagecitronella oil china @ 35.27% S
data pagecitronella oil java @ 34.79% S
data pagecitronella oil zimbabwe @ 1.02% S
 citrus fruits  
 cocoa S
 currant  
data pageechinophora cinerea oil iran @ 0.10% S
data pageeucalyptus citriodora oil @ 80.10% S
data pageeucalyptus dalrympleana maiden leaf oil ethiopia @ 7.60% S
 ginger S
data pageginger root oil brazil @ 0.30% S
 grape  
data pagegrapefruit oil c.p. @ 0.03% S
data pagegrapefruit oil c.p. russia @ 0.04% S
data pagegrapefruit oil c.p. russia @ 0.04% S
data pagegrapefruit oil c.p. russia @ 0.06% S
data pagegrapefruit oil c.p. russia @ 0.06% S
data pagegrapefruit oil california @ 0.11% S
data pagegrapefruit oil CO2 extract @ 0.12% S
 juniper  
 lemon  
data pagelemon oil california @ 0.08% S
data pagelemon verbena oil turkey @ 0.17% S
data pagelemongrass oil @ 0.10% S
data pagelemongrass oil @ 0.38% S
data pagelemongrass oil @ 0.80% S
data pagelemongrass oil egypt @ 0.79% S
data pagelemongrass oil guatemala @ 0.90% S
data pagelemongrass oil yunnan @ 0.65% S
data pagelime oil expressed florida @ 0.1% S
data pagelitsea cubeba oil china @ 0.17% S
 mandarin  
data pagemandarin oil avana @ 0.04% S
data pagemandarin oil japan @ 0.10% S
data pagemandarin oil uruguay @ 0.01% S
data pagemelissa oil @ 13.32% S
data pagemelissa oil slovak republic @ 11.31% S
data pagemikan peel oil @ 0.03% S
 nutmeg S
data pageorange oil terpeneless @ 2.60% S
data pageorange peel oil bitter china @ 0.01% S
data pageorange peel oil sweet c.p. blond italy @ 0.035% S
data pageorange peel oil sweet c.p. blond italy @ 0.045% S
data pageorange peel oil sweet c.p. blond italy @ 0.048% S
data pageorange peel oil sweet c.p. blond italy @ 0.058% S
data pageorange peel oil sweet c.p. blond italy @ 0.060% S
data pageorange peel oil sweet c.p. florida @ 0.04% S
data pageorange peel oil sweet c.p. valencia @ 0.05% S
data pageparsley leaf oil cuba @ 0.03% S
data pagepepper oil black india @ 0.10% S
data pagepetitgrain bergamot oil @ 0.02% S
data pagepetitgrain combava oil @ 81.49%  
data pagepetitgrain grapefruit oil @ 3.10% S
data pagepetitgrain lemon oil @ 2.36% S
data pagepetitgrain lime oil @ 0.50% S
data pagepetitgrain mandarin oil @ 0.25% S
data pagepetitgrain sweet oil @ 1.52%  
data pagethyme oil wild or creeping pakistan @ 0.17% S
 tomato  
data pageturmeric root oil CO2 extract @ 4.05% S
data pageyuzu leaf oil @ 0.28-0.30% S



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/03/2010