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1,1-Dimethoxy-3,7-dimethylocta-2,6-diene Structure

1,1-Dimethoxy-3,7-dimethylocta-2,6-diene

Chemical Properties

Boiling point 105-106 °C10 mm Hg(lit.)
Density  0.89 g/mL at 25 °C(lit.)
vapor density  6.8 (vs air)
vapor pressure  9 mm Hg ( 102.7 °C)
FEMA  2305 | CITRAL DIMETHYL ACETAL
refractive index  n20/D 1.454(lit.)
Flash point 180 °F
form  clear liquid
color  Colorless to Almost colorless
Odor at 100.00 %. green floral citric lemon lime natural
Odor Type citrus
biological source synthetic
Water Solubility  Almost insoluble in water
JECFA Number 944
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+
InChIKey ZSKAJFSSXURRGL-PKNBQFBNSA-N
SMILES COC(OC)\C=C(/C)CC\C=C(\C)C
LogP 3.76
CAS DataBase Reference 7549-37-3(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) CITRAL DIMETHYL ACETAL
EWG's Food Scores 1
FDA UNII 6ZOD5NW633
NIST Chemistry Reference 3,7-Dimethyl-2,6-octadienal, dimethyl acetal(7549-37-3)
EPA Substance Registry System 2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl- (7549-37-3)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H227-H315-H319-H317
Precautionary statements P210-P261-P264-P272-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P280
Hazard Codes  Xi
Risk Statements  43
Safety Statements  36/37
WGK Germany  2
RTECS  RG5330000
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  2911.00.5000
Storage Class 10 - Combustible liquids
Toxicity Both the oral LD50 value in rats and the dermal LD50 value in rabbits exceeded 5 g/kg (Hart, 1971).
NFPA 704:
2
2 0

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