13190-97-1

Name Solanesol
CAS 13190-97-1
EINECS(EC#) 603-532-7
Molecular Formula C45H74O
MDL Number MFCD00070279
Molecular Weight 631.07
MOL File 13190-97-1.mol

Chemical Properties

Appearance Brown Waxy Solid
Melting point  33°C
Boiling point  685.6±24.0 °C(Predicted)
density  0.889±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  Solid
pka 14.42±0.10(Predicted)
color  Off-White to Brown Waxy to
Stability: Stable, but may be heat sensitive-store cold. Combustible. Incompatible with strong oxidizing agents.
Usage A high molecular weight isoprenoid alcohol isolated from tobacco leaf
Detection Methods HPLC(RID), NMR
Merck  8703
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey AFPLNGZPBSKHHQ-MEGGAXOGSA-N
SMILES C(/C)(\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CO
LogP 16.149 (est)
CAS DataBase Reference 13190-97-1(CAS DataBase Reference)
EPA Substance Registry System 13190-97-1(EPA Substance)

Safety Data

Safety Statements 
WGK Germany  3
RTECS  MP5366666
TSCA  TSCA listed
HS Code  29052900
Storage Class 11 - Combustible Solids
Toxicity
mouse,LD50,intraperitoneal,> 4gm/kg (4000mg/kg),United States Patent Document. Vol. #4221810,

Hazard Information

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