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2777-58-4

2777-58-4 structural image
Product Name: PETROSELINIC ACID METHYL ESTER
Formula: C19H36O2
Synonyms: Petroselinic acid methyl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2104.5

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H225:Flammable liquids
H304:Aspiration hazard
H315:Skin corrosion/irritation
H336:Specific target organ toxicity,single exposure; Narcotic effects
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P273:Avoid release to the environment.
P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 296.5 g/mol
XLogP3 7.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 16
Exact Mass 296.271530387 g/mol
Monoisotopic Mass 296.271530387 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 246
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes