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Propyl lactate

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Name

Propyl lactate

EINECS 210-464-8
CAS No. 616-09-1 Density 1.024 g/cm3
PSA 46.53000 LogP 0.32040
Solubility Completely miscible in water Melting Point 1 °C
Formula C6H12O3 Boiling Point 174.2 °C at 760 mmHg
Molecular Weight 132.159 Flash Point 62.7 °C
Transport Information UN 3272 Appearance N/A
Safety 23-24/25 Risk Codes 10
Molecular Structure Molecular Structure of 616-09-1 (ISOPROPYL (S)-(-)-LACTATE) Hazard Symbols N/A
Synonyms

Lacticacid, propyl ester (6CI,8CI);Propyl 2-hydroxypropanoate;Propyl lactate;n-Propyllactate;

Article Data 31

Propyl lactate Specification

The Propanoic acid, 2-hydroxy-, propyl ester, with the CAS registry number of 616-09-1, is also known as Isopropyl (S)-(-)-lactate and Isopropyl-S(-)-2-hydroxy-propionate. Its EINECS registry number is 264-417-1. This chemical's molecular formula is C6H12O3 and molecular weight is 132.16. What's more, its IUPAC name is Propyl 2-hydroxypropanoate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with strong oxidant.

Physical properties about Propanoic acid, 2-hydroxy-, propyl ester are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.07; (6)ACD/BCF (pH 7.4): 1.07; (7)ACD/KOC (pH 5.5): 36.65; (8)ACD/KOC (pH 7.4): 36.65; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 33.11 cm3; (15)Molar Volume: 128.9 cm3; (16)Polarizability: 13.12×10-24 cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.024 g/cm3; (19)Flash Point: 62.7 °C; (20)Enthalpy of Vaporization: 47.8 kJ/mol; (21)Boiling Point: 174.2 °C at 760 mmHg; (22)Vapour Pressure: 0.38 mmHg at 25 °C; (23)Melting Point: 1 °C.

When you are using this chemical, please be cautious about it as the following:
The vapour of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCC)C(O)C
(2) InChI: InChI=1/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3
(3) InChIKey: ILVGAIQLOCKNQA-UHFFFAOYAL

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