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4-Methylumbelliferyl acetate

4-Methylumbelliferyl acetate structure

CAS No:
2747-05-9
Formula:
C12H10O4
Chemical Name:
4-Methylumbelliferyl acetate
Synonyms:
2H-1-Benzopyran-2-one,7-(acetyloxy)-4-methyl-;Coumarin,7-hydroxy-4-methyl-,acetate;Umbelliferone,4-methyl-,acetate;7-(Acetyloxy)-4-methyl-2H-1-benzopyran-2-one;4-Methylumbelliferone acetate;7-Acetoxy-4-methylcoumarin;β-Methylumbelliferone acetate;7-Hydroxy-4-methylcoumarin acetate;4-Methyl-7-acetoxycoumarin;4-Methylumbelliferone 7-acetate;7-(Acetyloxy)-4-methylcoumarin;4-Methylumbelliferyl acetate;NSC 1059;NSC 31658;NSC 44763;NSC 688806;(4-Methyl-2-oxochromen-7-yl) acetate
Categories:
Chemical Reagents > Organic Reagents

Description

beige crystalline flakes and needles

Solid

4-methylumbelliferyl acetate is an acetate ester consiting of umbelliferone carrying a 7-O-acetyl group. It has a role as a plant metabolite. It is an acetate ester and a member of coumarins. It derives from an umbelliferone.

4-Methylumbelliferyl acetate Basic Attributes

Molecular Weight：

218.21

Exact Mass：

218.21

BRN：

189667

EC Number：

220-386-6

NSC Number：

688806|44763|31658|1059

DSSTox ID：

DTXSID70181895

HScode：

2932209090

Characteristics

PSA：

52.6

XLogP3：

2.02670

Appearance：

Solid

Density：

1.263g/cm3

Melting Point：

150 °C

Boiling Point：

371.4ºC at 760mmHg

Flash Point：

191.5ºC

Refractive Index：

1.588

Water Solubility：

355.3 mg/L @ 25 °C (est)

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.56%): 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 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-methylumbelliferyl acetate

4-Methylumbelliferyl acetate Use and Manufacturing

Methods of Manufacturing

Resorcinol is obtained by cyclization and acetylation. Add ethyl acetoacetate and resorcinol to the reaction tank, stir and heat to 50°C to dissolve, then add sulfuric acid (to prevent punching), and heat to reflux for 1h. Evaporate to dryness under reduced pressure, add ethyl acetoacetate, reflux for 1h, evaporate to dryness under reduced pressure. Add acetic anhydride and reflux for 1h. Cool to 80 ℃, slowly add ethanol, cool to 10 ℃, spin filter, the filter cake is washed with ethanol until neutral, and dried to obtain 7-acetoxy-4-methyl coumarin. Melting point 150-153℃ (resorcinol can be used as feed after the ethanol mother liquor is evaporated).

Uses

Fluorogenic substrate for esterases, broadly applied to various types of esterases., including carboxyesterases. Measurement of intracellular pH in rat proximal convoluted tubule.

Computed Properties

Molecular Weight:218.20
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:218.05790880
Monoisotopic Mass:218.05790880
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Resorcinol

Acetic acid

Downstream Products

Acetic acid

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CAS No.: 2747-05-9

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Guide of 4-Methylumbelliferyl acetate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
Latest News
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4-Methylumbelliferyl acetate

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