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Isopropyl glycolate

Isopropyl glycolate structure

CAS No:
623-61-0
Formula:
C5H10O3
Chemical Name:
Isopropyl glycolate
Synonyms:
Acetic acid,2-hydroxy-,1-methylethyl ester;Glycolic acid,isopropyl ester;Acetic acid,hydroxy-,1-methylethyl ester;Isopropyl glycolate;NSC 14089
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Isopropyl glycolate Basic Attributes

Molecular Weight：

118.13

Exact Mass：

118.13

EC Number：

210-804-5

NSC Number：

14089

DSSTox ID：

DTXSID10211362

HScode：

2918199090

Characteristics

PSA：

46.5

XLogP3：

0.3

Density：

1.05 g/cm3

Boiling Point：

159.3°C at 760 mmHg

Refractive Index：

1.42

Water Solubility：

Slightly soluble in water.

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Isopropyl glycolate Use and Manufacturing

General procedure: Hydrogenation of Other Ester Compounds Catalyzed by Synthetic Preparation of Bipyridine Tetradshed Ruthenium Complex 5 The results are shown in Table 2:Table 2 Hydrogenation of other ester compounds a; A Reaction conditions: S / C = 1000, 3.0 mmol Substrate, 3.0 μmol 5, 3.0 mL lPrOH, 0.3 mmol NaOMe, 5 MPa H2, 25 ° C.

Computed Properties

Molecular Weight:118.13
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:118.062994177
Monoisotopic Mass:118.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:8
Complexity:77.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes