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

methoxycitronellal
octanal, 7-methoxy-3,7-dimethyl-

Supplier Sponsors

Fragrance Demo Formulas
Name:7-methoxy-3,7-dimethyloctanal
CAS Number: 3613-30-7Picture of molecule3D/inchi
Other:53023-57-7
ECHA EINECS - REACH Pre-Reg:222-784-5
Nikkaji Web:J8.182E
Beilstein Number:1904467
XlogP3-AA:2.20 (est)
Molecular Weight:186.29474000
Formula:C11 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(3R)-7-methoxy-3,7-dimethyloctanal
CAS Number: 3613-30-7 (R)Picture of molecule3D/inchi
XlogP3-AA:2.20 (est)
Molecular Weight:186.29474000
Formula:C11 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(3S)-7-methoxy-3,7-dimethyloctanal
CAS Number: 3613-30-7 (S)Picture of molecule3D/inchi
Nikkaji Web:J911.447E
XlogP3-AA:2.20 (est)
Molecular Weight:186.29474000
Formula:C11 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
Category: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 clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89200 to 0.89400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.422 to 7.439
Refractive Index:1.43700 to 1.43900 @ 20.00 °C.
Boiling Point: 238.00 to 239.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.040000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 2.365 (est)
Soluble in:
 alcohol
 water, 203.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:48 hour(s) at 100.00 %
fresh melon floral lily sweet
Odor Description:at 100.00 %. fresh melon floral lily sweet
Luebke, William tgsc, (1983)
Odor sample from: SCM Glidco Organics
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Indukern F&F
FREMYCAL - METHOXYCITRONELLAL PQ
Odor: FLORAL, SWEET, FRESH, MUGUET
Moellhausen
METHOXYCITRONELLAL
Penta International
METHOXY CITRONELLAL
R C Treatt & Co Ltd
Methoxycitronellal
Taytonn
Fremycal
The John D. Walsh Company
Methoxycitronellal PQ
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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 - Wear suitable protective clothing.
 
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:
oral-rat LD50 5000 mg/kg
SCM Glidco Organics

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for methoxycitronellal usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for methoxycitronellal flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):3613-30-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :19223
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
7-methoxy-3,7-dimethyloctanal
Chemidplus:0003613307
(3R)-7-methoxy-3,7-dimethyloctanal
(3S)-7-methoxy-3,7-dimethyloctanal
 
References:
 7-methoxy-3,7-dimethyloctanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3613-30-7
Pubchem (cid):19223
Pubchem (sid):134986418
 (3R)-7-methoxy-3,7-dimethyloctanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3613-30-7
Pubchem (cid):6999892
Pubchem (sid):43601512
 (3S)-7-methoxy-3,7-dimethyloctanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3613-30-7
Pubchem (cid):6999891
Pubchem (sid):43601511
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2912.49.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
citronellyl oxyacetaldehyde
FL/FR
lily pentanal
FR
muguet undecadienal
FR
nonanal (aldehyde C-9)
FL/FR
animal
para-
cresyl isobutyrate
FL/FR
para-
cresyl phenyl acetate
FL/FR
balsamic
linalyl cinnamate
FL/FR
citrus
benzyl anthranilate
FR
citrus ocimenol
FR
(Z)-4-
decenal
FL/FR
myrmac aldehyde
FR
tetrahydromyrcenol
FR
earthy
octyl phenyl acetate
FL/FR
floral
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
bois de rose oil brazil
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
4-iso
butyl cyclohexane propanal
FR
citronellyl ethoxalate
FR
coranol (Firmenich)
FR
corps popinal
FR
para-
cresyl propionaldehyde
CS
cumin carbinol
FR
cuminyl acetaldehyde
FL/FR
cyclamen aldehyde / methyl anthranilate schiff's base
FR
cyclamen homoaldehyde
FR
cyclohexyl ethyl alcohol
FL/FR
cyclohexyl propanol
FR
2-
decalinol
FR
dihydrolinalool
FL/FR
2,5-
dimethyl-2-indan methanol
FR
3,6-
dimethyl-3-octanol
FL/FR
4-
ethyl cyclohexane propanal
FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
(E,E)-
farnesol
FL/FR
farnesol
FL/FR
floral butanal
FR
floral pyranol
FR
floral specialty
FR
freesia acetate
FR
gardenia decalone
FR
hawthorn ethanol
FR
ho leaf oil
FR
ho wood oil
FR
hydroxycitronellal
FL/FR
hydroxycitronellal / methyl anthranilate schiff's base
FR
hydroxycitronellal diethyl acetal
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
hydroxycitronellal distillation residue distillates
FR
hydroxycitronellol
FL/FR
jasimia
FR
leerall
FR
leerall / methyl anthranilate schiff's base
FR
calla
lily fragrance
FR
lily of the valley specialty
FR
lily propanol
FR
lilyall
FR
lilyall / methyl anthranilate schiff's base
FR
lilyall substitute
FR
linalool
FL/FR
dextro-
linalool
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
linalyl benzoate
FL/FR
linalyl propionate
FL/FR
lotus fragrance
FR
magnolia cyclohexanol
FR
magnolia decadienal
FR
methoxymelonal
FL/FR
4-
methyl cyclohexane propanal
FR
2-
methyl octanal
FL/FR
muguet butanal
FR
muguet butanol
FR
muguet carbaldehyde
FR
muguet carbinol
FL/FR
muguet carboxaldehyde
FR
muguet ethanol
FR
muguet nitrile
FR
muguet octadienol
FR
muguet propanol
FR
muguet shiseol
FL/FR
octahydro-4,7-methano-1H-indene-5-acetaldehyde
FR
octahydro-4,7-methano-1H-indene-5-acetaldehyde + 6-methyl-octahydro-4,7-methano-indene-5-carbaldehyd
FR
orchid specialty
FR
phenyl glycol diacetate
FR
4-
propyl cyclohexane propanal
FR
rose absolute pentanol
FR
alpha-
terpinyl anthranilate
FL/FR
tetrahydrolinalool
FL/FR
(S,E)-3,7,11-
trimethyldodeca-6,10-dienal
FR
fruity
butyl isobutyrate
FL/FR
ethyl levulinate
FL/FR
neryl isobutyrate
FL/FR
(Z)-6-
nonen-1-al dimethyl acetal
FR
(Z)-3-
octen-1-ol
FL/FR
propyl 2,4-decadienoate
FL/FR
green
manzanate (Givaudan)
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(Z)-5-
octen-1-ol
FL/FR
violet leaf absolute
FL/FR
herbal
dimethyl benzyl carbinyl formate
FL/FR
marine
ozone propanal
FR
melon
melon carboxaldehyde
FR
(Z)-6-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
watermelon ketone
FR
muguet
4-iso
butyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
ethyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
methyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
propyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
spicy
cubeb oil
FL/FR
waxy
2,4-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
For Flavor
No flavor group found for these
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
ethyl linalyl ether
FL/FR
(E,E)-
farnesol
FL/FR
dextro-
linalool
FL/FR
2-
methyl octanal
FL/FR
octyl phenyl acetate
FL/FR
alpha-
terpinyl anthranilate
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
aromatic
para-
cresyl isobutyrate
FL/FR
citrus
citronellyl oxyacetaldehyde
FL/FR
(Z)-4-
decenal
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
cooling
manzanate (Givaudan)
FL/FR
fatty
2,4-
nonadien-1-ol
FL/FR
(Z)-3-
octen-1-ol
FL/FR
floral
bois de rose oil brazil
FL/FR
dihydrolinalool
FL/FR
farnesol
FL/FR
linalyl anthranilate
FL/FR
linalyl benzoate
FL/FR
muguet carbinol
FL/FR
muguet shiseol
FL/FR
tetrahydrolinalool
FL/FR
fruity
butyl isobutyrate
FL/FR
ethyl levulinate
FL/FR
linalyl cinnamate
FL/FR
methoxymelonal
FL/FR
neryl isobutyrate
FL/FR
green
cuminyl acetaldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
linalool oxide
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(Z)-5-
octen-1-ol
FL/FR
violet leaf absolute
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
linalyl propionate
FL/FR
melon
hydroxycitronellal diethyl acetal
FL/FR
propyl 2,4-decadienoate
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
powdery
hydroxycitronellol
FL/FR
spicy
cubeb oil
FL/FR
waxy
hydroxycitronellal
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-ol
FL/FR
 
Potential Uses:
FRlilac
FRlily
FRlily of the valley
 melon watermelon muskmelon cantaloupe
FRtuberose
FRviolet
FRylang ylang
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3,7-dimethyl-7-methoxy-1-octanal
 fremycal
 hydroxycitronellal methyl ether
 melonia
 methoxy citronellal
7-methoxy-3,7-dimethyl octanal
7-methoxy-3,7-dimethyloctanal
7-methoxy-3.7-dimethylactanal
7-methoxycitronellal
 methoxycitronellal PQ
 methoxydihydrocitronellal
1-octanal, 3,7-dimethyl-7-methoxy-
 octanal, 7-methoxy-3,7-dimethyl-
 
 
Notes:
None found
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