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Monomethyl phthalate

Monomethyl phthalate structure

CAS No:
4376-18-5
Formula:
C9H8O4
Chemical Name:
Monomethyl phthalate
Synonyms:
1,2-Benzenedicarboxylic acid,1-methyl ester;Phthalic acid,monomethyl ester;1,2-Benzenedicarboxylic acid,monomethyl ester;Phthalic acid,methyl ester;D 3 (ester);Monomethyl phthalate;Methyl phthalate;D 3;o-(Methoxycarbonyl)benzoic acid;Methyl hydrogen phthalate;2-(Methoxycarbonyl)benzoic acid;NSC 8281;Methyl 2-carboxybenzoate;2-(1-Methoxycarbonyl)benzoic acid

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Description

white to off-white crystalline powder

Solid

Monomethyl phthalate is a methyl ester and a phthalic acid monoester.

Monomethyl phthalate Basic Attributes

Molecular Weight：

180.16

Exact Mass：

180.16

BRN：

2048766

EC Number：

224-476-6

UNII：

2STT6D18JR

NSC Number：

8281

DSSTox ID：

DTXSID9040001

HScode：

29173490

Characteristics

PSA：

63.6

XLogP3：

1.1

Appearance：

White to off-white Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

82-84 °C

Boiling Point：

328.9°C at 760 mmHg

Flash Point：

134.7±16.7 °C

Refractive Index：

1.556

Water Solubility：

Insoluble in water.

Storage Conditions：

Refrigerator

Collision Cross Section：

146.13 Å² [M+Na]+

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 (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 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,2-benzenedicarboxylic acid monomethyl ester

Monomethyl phthalate Use and Manufacturing

Phthalate Ester metabolite, linked to precocious puberty.

Computed Properties

Molecular Weight:180.16
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:63.6
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Monomethyl Phthalate

CAS No.: 4376-18-5

Content: 99.00%

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Guide of Monomethyl phthalate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Monomethyl phthalate

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