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53651-69-7

Basic Information
CAS No.: 53651-69-7
Name: Propanoic acid,2-hydroxy-, propyl ester, (2S)-
Article Data: 13
Cas Database
Molecular Structure:
Molecular Structure of 53651-69-7 (Propanoic acid,2-hydroxy-, propyl ester, (2S)-)
Formula: C6H12O3
Molecular Weight: 132.159
Synonyms: Propanoicacid, 2-hydroxy-, propyl ester, (S)-;(-)-n-Propyl lactate;Propyl (-)-lactate;Propyl (S)-(-)-lactate;
EINECS: N/A
Density: 1.024 g/cm3
Melting Point: -14 °C
Boiling Point: 174.2 °C at 760 mmHg
Flash Point: 62.7 °C
Solubility: N/A
Appearance: clear colorless liquid
Hazard Symbols: IrritantXi
Risk Codes: 66-41-37
Safety: 39-26
Transport Information: N/A
PSA: 46.53000
LogP: 0.32040
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  • PROPYL (S)-(-)-LACTATE

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  • Propyl (S)-(-)-lactate

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Specification

The Propanoic acid,2-hydroxy-, propyl ester, (2S)-, with the CAS registry number 53651-69-7, is also known as Propyl L-lactate. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C6H12O3 and molecular weight is 132.078644. Its IUPAC name is called propyl (2S)-2-hydroxypropanoate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical is clear colorless liquid.

Physical properties of Propanoic acid,2-hydroxy-, propyl ester, (2S)-: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): 0.34; (3)ACD/LogD (pH 7.4): 0.34; (4)ACD/BCF (pH 5.5): 1.07; (5)ACD/BCF (pH 7.4): 1.07; (6)ACD/KOC (pH 5.5): 36.65; (7)ACD/KOC (pH 7.4): 36.65; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.427; (12)Molar Refractivity: 33.11 cm3; (13)Molar Volume: 128.9 cm3; (14)Surface Tension: 33.2 dyne/cm; (15)Density: 1.024 g/cm3; (16)Flash Point: 62.7 °C; (17)Enthalpy of Vaporization: 47.8 kJ/mol; (18)Boiling Point: 174.2 °C at 760 mmHg; (19)Vapour Pressure: 0.38 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to respiratory system. The repeated exposure may cause skin dryness or cracking.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCOC(=O)C(C)O
(2)Isomeric SMILES: CCCOC(=O)[C@H](C)O
(3)InChI: InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
(4)InChIKey: ILVGAIQLOCKNQA-YFKPBYRVSA-N