ChemicalBook--->CAS DataBase List--->3613-30-7

3613-30-7

3613-30-7 Structure

3613-30-7 Structure
IdentificationBack Directory
[Name]

7-METHOXY-3,7-DIMETHYLOCTANAL
[CAS]

3613-30-7
[Synonyms]

METHOXY CITRONELLAL
7-METHOXY-3,7-DIMETH
7-METHOXY CITRONELLAL
methoxydihydrocitronellal
hydroxycitronellalmethylether
7-METHOXY-3,7-DIMETHYLOCTANAL
7-methoxy-3.7-dimethylactanal
7-methoxy-3,7-dimethyl-octana
Hydroxycitronellal methyl ether
3,7-dimethyl-7-methoxy-1-octana
3,7-Dimethyl-7-methoxy-1-octanal
7-methoxy-3,7-dimethyloctan-1-al
Octanal, 7-methoxy-3,7-dimethyl-
7-Methoxy-3,7-dimethyloctanal,98%
(S)-7-Methoxy-3,7-dimethyloctanal
1-Octanal, 3,7-dimethyl-7-methoxy-
7-Methoxy-3,7-diMethyloctanal, 98% 250GR
[EINECS(EC#)]

222-784-5
[Molecular Formula]

C11H22O2
[MDL Number]

MFCD00007015
[MOL File]

3613-30-7.mol
[Molecular Weight]

186.29
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

60 °C (0.4 mmHg)
[density ]

0.87
[refractive index ]

1.4364-1.4384
[Fp ]

98 °C
[solubility ]

Almost insoluble in water, soluble in alcohol and oils, fairly soluble in Propylene glycol.
[form ]

slightly oily liquid
[color ]

A colourless liquid.
[Odor]

at 100.00 %. fresh melon floral lily sweet
[Odor Type]

floral
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3
[InChIKey]

IDWULKZGRNHZNR-UHFFFAOYSA-N
[SMILES]

O=CCC(C)CCCC(C)(C)OC
[LogP]

2.365 (est)
[EPA Substance Registry System]

Octanal, 7-methoxy-3,7-dimethyl- (3613-30-7)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

It is used in many types of floral fragrances, in floral bases, particularly recommended for Ylang-Ylang bases. It blends very well with the “rose” alcohols, with the Cinnamic derivatives and with the Eugenols, Benzylacetate and other common ingredients. It needs more fixation than Hydroxycitronellal which in itself is a fixative, but it also offers fresh-green, almost vegetable-green notes, not found in Hydroxycitronellal, and not found so pleasantly effective in Cyclamen aldehyde. Its softness makes it easy to use, hard to overdose.
[Preparation]

By catalytic methylation of hydroxycitronellal (Arctander, 1969)
[Metabolism]

On rice and alfalfa, methoxycitronellal formed as a metabolite of the insect-growth regulator, methoprene, was converted to methoxycitronellic acid and hydroxycitronellic acid and their conjugates (Quistad et al. 1974)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

24/25
[WGK Germany ]

WGK 2
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29124990
[Storage Class]

11 - Combustible Solids
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975). Quistad, Staiger & Schooley (1974) described methoxycitronellal as non-toxic to mammals, giving the LD50 in rats again as > 5 g/kg
Spectrum DetailBack Directory
[Spectrum Detail]

7-METHOXY-3,7-DIMETHYLOCTANAL(3613-30-7)MS
7-METHOXY-3,7-DIMETHYLOCTANAL(3613-30-7)13CNMR
7-METHOXY-3,7-DIMETHYLOCTANAL(3613-30-7)IR1
7-METHOXY-3,7-DIMETHYLOCTANAL(3613-30-7)Raman
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