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General Material Information

Preferred name methoxycitronellal
Trivial Name 7-methoxy-3,7-dimethyloctanal
Short Description octanal, 7-methoxy-3,7-dimethyl-
Formula C11 H22 O2
CAS Number 3613-30-7
CAS Number 3613-30-7 (R)
CAS Number 3613-30-7 (S)
Deleted CAS Number 53023-57-7
ECHA Number 222-784-5
FDA UNII 261VCL42SZ
Nikkaji Number J8.182E
Beilstein Number 1904467
xLogP3-AA 2.20 (est)
NMR Predictor External link
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-

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Literature & 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
Publications by PubMed
Effects of methoprene, its metabolites, and breakdown products on retinoid-activated pathways in transfected cell lines.
Developmental toxicity of methoprene and several degradation products in Xenopus laevis.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 186.29473876953
Specific gravity @ 25 °C
Pounds per Gallon 7.422 to 7.439
Refractive Index 1.437 to 1.439 @ 20 °C
Boiling Point 238 to 239°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.04 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 2.365 est
Solubility
alcohol Yes
water, 203.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
fresh, melon, floral, lily, sweet
Odor strength medium
Substantivity 48 hour(s) at 100.00 %
Luebke, William tgsc, (1983) At 100.00 %. fresh melon floral lily sweet

Potential Uses

Applications
Odor purposes Lilac, Lily, Lily of the valley, Melon, Tuberose, Violet, Ylang ylang
Cosmetic purposes Perfuming agents

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations: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