3613-30-7

Name 7-METHOXY-3,7-DIMETHYLOCTANAL
CAS 3613-30-7
EINECS(EC#) 222-784-5
Molecular Formula C11H22O2
MDL Number MFCD00007015
Molecular Weight 186.29
MOL File 3613-30-7.mol
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Chemical Properties

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)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  WGK 2
TSCA  TSCA listed
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

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