CAS 7699-00-5 ethyl (2R)-2-hydroxypropanoate (HCID 637513)

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Basic information

CAS: 7699-00-5
Standard SMILES: CCOC(=O)[C@@H](C)O
InChIKey: LZCLXQDLBQLTDK-SCSAIBSYSA-N
Molecular formula: C5H10O3
Average molar mass: 118.13 g/mol
Monoisotopic mass: 118.06299418

Names & identifiers

Preferred name: ethyl (2R)-2-hydroxypropanoate
IUPAC: ethyl (2R)-2-hydroxypropanoate
English name: (+)-Ethyl D-lactate
Molecular formula: C5H10O3
Molecular weight: 118.13

Names & synonyms

ethyl (2R)-2-hydroxypropanoateRefChem:593006628-439-97699-00-5(R)-Ethyl 2-hydroxypropanoateethyl d-lactate(+)-Ethyl D-lactateD-ETHYL LACTATEMFCD00077825ethyl (2R)-lactate(+)-Ethyl 2-Hydroxypropanoateethyl (2R)-2-oxidanylpropanoate

Show more names

Ethyl (R)-2-hydroxypropanoate(+)-EthyLD-Lactic acid ethylethyl dextro-lactate

(R)-2-hydroxy-propionic acid ethyl esterethyl-d-lactate(r)-ethyl lactatePropanoic acid, 2-hydroxy-, ethyl ester, (2R)-(R)-(+)-Lactic Acid Ethyl Ester(2R)-2-Hydroxypropionic acid ethyl ester(R)-(+)-ethyl lactateethyl (R)-(+)-lactate

Database identifiers

CAS: 7699-00-5
PubChem CID: 637513
DTXSID: DTXSID50348444
ChEBI: CHEBI:78323
EC Number: 628-439-9
Nikkaji: J70.574H

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 79

Physicochemical properties

Boiling point: 150 · 150-153 °C
Density: 1.0345 g/cm3 · 1.0345 g/cm3(Temp: 23 °C)
refractive index: 20 · n20/D 1.413
Flash point: 46 °C · 46 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: liquid
pka: 13.21 · 13.21±0.20(Predicted)
color: Colourless
optical activity: Consistent with structure
BRN: 1720840 · 1720840
InChI: InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m1/s1
InChIKey: LZCLXQDLBQLTDK-SCSAIBSYSA-N
SMILES: C(OCC)(=O)[C@H](O)C
LogP: -0.188 · -0.188 (est)
UNSPSC Code: 12352108 · 12352108

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.