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
molecular weight : 154.2493200
formula :C10 H18 O
BioActivity Analysis :99554
 
 
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
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)
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
Takasago :Citronellal Natural
≥85% as Citronellal
Odor:  Powerful, fresh, green-citrusy, slightly woody
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 description :¹
at 10.00 % in dipropylene glycol.  
sweet dry floral herbal waxy aldehydic citrus
odor sample from :CA Aromatics Company Inc.
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 : 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
NTIS**  OTS0557726

Intraperitoneal-Mouse    >200.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >2500.00  mg/kg
FCTXAV   13,755,197

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for citronellal usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for citronellal 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 106-23-0
chemidplus :000106230
EPA Substance Registry Services :106-23-0
dtp/nci :46106

references :
 3,7-dimethyloct-6-enal
fl. number :05.021
jecfa number :1220
NIST Chemistry WebBook :1733576178
pubchem :150886

Cosmetics :
Cosmetic uses : masking agents

other :
reference : Luebke, William tgsc, (1984)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
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

(odor and/or flavor) blends with :
isoamyl undecylenate
 benzyl alcohol
 bois de rose oil
 butyl benzyl ether
 citronellol
 citronellyl ethyl ether
 citronellyl phenyl acetate
 citronellyl propionate
 citrus propanol
 coranol
 cubeb oil
(E)-alpha-damascone
(Z)-alpha-damascone
gamma-damascone
2,4-decadien-1-ol
isodecanal
 decanal dimethyl acetal
9-decen-1-al
2-decen-1-ol
9-decen-1-ol
(Z)-4-decen-1-yl acetate
 decyl butyrate
 dihydrocarvyl acetate
 dihydrocitronellyl ethyl ether
 dihydrolinalool
2,6-dimethyl octanal
 dimethyl octanol
3,6-dimethyl-3-octanol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl nonanoate
(Z)-beta-farnesene
 farnesyl acetate
 floral pyran
 geraniol
 geranium rose-scented oil (pelargonium spp.) cuba
 geranyl acetate
(E)-geranyl acetone
 geranyl butyrate
(E)-geranyl linalool
 globulol
 green carbaldehyde
 green carboxylate
 hawthorn ethanol
2-heptyl tetrahydrofuran
 ho leaf oil
 ho wood oil
 hydroxycitronellal dimethyl acetal
 lime octadienal
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
(Z)-linalool oxide (pyranoid)
 linalyl anthranilate
 linalyl formate
 methyl 10-undecenal
 methyl acetoacetate
 methyl anthranilate
 methyl heptenone
2-methyl octanal
alpha-methylene citronellal
 musk acetate
 neryl acetate
 neryl isovalerate
(E,E)-2,6-nonadien-1-al
 nonanal diethyl acetal
 nonanal dimethyl acetal
 nonanol
(E)-2-nonen-1-yl acetate
 octanal
 octanal dimethyl acetal
 octyl phenyl acetate
 phenethyl acetate
 phenethyl anthranilate
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
 phenyl acetic acid
 rhodinol
 rose absolute
 rose butanoate
laevo-rose oxide
 strawberry glycidate 2
 styralyl propionate
alpha-terpinyl acetate
 tetrahydrolinalool
 tmh aldehyde
(E)-2-tridecen-1-al
2-tridecen-1-al
 undecanal
 undecanol
10-undecen-1-al
(E)-2-undecen-1-ol
2-undecen-1-ol
(E)-2-undecen-1-yl acetate
 waxy acetate
 waxy nitrile

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



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