citronellal
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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
jecfa number :1220
fl. number :05.021
molar refractivity :48.42 ± 0.3 cm3
parachor :419.6 ± 4.0 cm3
index of refraction :1.437 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.835 ± 0.06 g/cm3
polarizability :19.19 ± 0.5 10-24cm3
XlogP : 3.60
XlogP3-AA : 3.00
molecular weight : 154.2493200 (IUPAC)
formula :C10 H18 O
BioActivity Analysis :99554
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :2912.19.000
fda reg :172.515
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 his 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
Sigma-Aldrich-SAFC :(±)-Citronellal
≥80%, Kosher
Odor:  cherry; lemon; green; rose; sweet
Sigma-Aldrich-SAFC :(±)-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:  INTENSE, LEMON-CITRONELLA-ROSE
organoleptics :
odor type :floral
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description¹ :
at 10.00 % in dipropylene glycol.  		sweet dry floral herbal waxy aldehydic citrus
odor sample from :CA Aromatics Company Inc.
odor description³ :
Sweet, floral rosy waxy and citrus green
taste description³ :
at 10.00 ppm.  		Floral, green, rosy and citrus lemon
substantivity :16  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 85.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :0.85000 to 0.85800 @ 25.00 °C.
pounds per gallon - calc. : 7.073 to 7.139
specific gravity :0.85100 to 0.85900 @ 20.00 °C.
pounds per gallon - calc. : 7.089 to 7.156
refractive index :1.44600 to 1.45300 @ 20.00 °C.
optical rotation :-1.00 to -11.00
boiling point : 206.00 to 207.00 °C. @ 760.00 mm Hg
boiling point : 106.00 to 108.00 °C. @ 15.00 mm Hg
acid value : 3.00  max.  KOH/g
vapor pressure :0.28000 mm/Hg @ 25.00 °C.
vapor density :5.3 ( Air = 1 )
flash point : 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 :
 
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
(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
fl. number :05.021
jecfa number :1220
NIST Chemistry WebBook :1733576178
pubchem :150886
Flavornet :106-23-0
Cosmetics :
Cosmetic uses : masking agents
other :
reference : Luebke, William tgsc, (1984)¹
reference : Mosciano, Gerard P&F 14, No. 6, 47, (1989)³
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
insoluble in :
 water
 glycerin
stability :
 non-discoloring
potential blenders :
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 bois de rose oilFL/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-damasconeFL/FR
2,4-decadien-1-olFL/FR
isodecanalFL/FR
 decanal dimethyl acetalFL/FR
9-decen-1-alFL/FR
2-decen-1-olFL/FR
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 linaloolFL/FR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFL/FR
 ethyl linalyl etherFL/FR
 ethyl nonanoateFL/FR
(Z)-beta-farneseneFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 geraniolFL/FR
 geranium rose-scented oil (pelargonium spp.) cubaFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl butyrateFL/FR
(E)-geranyl linaloolFL/FR
 globulolFL/FR
 green carbaldehydeFR
 green carboxylateFR
 hawthorn ethanolFR
2-heptyl tetrahydrofuranFR
 ho leaf oilFL/FR
 ho wood oilFL/FR
 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-undecenalFL/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/FR
 nonanal diethyl acetalFL/FR
 nonanal dimethyl acetalFL/FR
 nonanolFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 octanalFL/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 absoluteFL/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
 undecanalFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-yl acetateFL/FR
 waxy acetateFR
 waxy nitrileFR
potential uses :
 basil
 citronella
 citrus
 cologne
 eucalyptus
 fruit punch
 geranium
 gingergrass
 green
 honey miel
 lemon
 lemongrass
 mandarin
 melissa balm
 orange
 plum mirabelle plum
 rose
 tangerine
natural occurrence in :
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  
data pagelaurel leaf oil turkey @ trace-0.10% S
data pagelaurel leaf oil turkey @ trace-0.10% S
 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



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