2-Ethylhexyl L-lactate - CAS 186817-80-1
Catalog:
BB076975
Product Name:
2-Ethylhexyl L-lactate
CAS:
186817-80-1
Synonyms:
Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, (2S)-; 2-ethyl hexyl lactate; 2-Ethylhexyl L-(+)-lactate
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BB076975
100 g
$298
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IUPAC Name: 2-ethylhexyl (2S)-2-hydroxypropanoate
Description: The organic ester, 2-Ethylhexyl L-lactate, is a versatile pharmaceutical ingredient that functions as both a solvent and plasticizer. Its applications span various drugs and products, including those used for treating hyperlipidemia and Alzheimer's disease. Beyond its practical uses, the compound's enigmatic molecular structure presents a challenge to those engaging in exploratory research.
Molecular Weight: 202.29
Molecular Formula: C11H22O3
Canonical SMILES: CCCCC(CC)COC(=O)C(C)O
InChI: InChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-11(13)9(3)12/h9-10,12H,4-8H2,1-3H3/t9-,10?/m0/s1
InChI Key: FECDACOUYKFOOP-RGURZIINSA-N
Boiling Point: 243°C at 760 mmHg
Purity: 95%
Density: 0.954 g/cm3
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (48.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (43.21%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (16.07%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement: P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word: Danger
Complexity: 157
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Exact Mass: 202.15689456
Formal Charge: 0
Heavy Atom Count: 14
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 202.15689456
Rotatable Bond Count: 8
Topological Polar Surface Area: 46.5
Undefined Atom Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
XLogP3: 3
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