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Mono-methyl isophthalate

Mono-methyl isophthalate structure

CAS No:
1877-71-0
Formula:
C9H8O4
Chemical Name:
Mono-methyl isophthalate
Synonyms:
METHYL HYDROGEN ISOPHTHALATE;METHYL M-PHTHALATE;IFLAB-BB F2108-0140;isophthalic acid methyl ester;3-METHOXYCARBONYL BENZOIC ACID;RARECHEM AL BE 0627;MONO-METHYL ISOPHTHALATE;Benzene-1,3-dicarboxylic acid monomethyl ester~Isophthalic acid monomethyl ester~Monomethyl isophthalate
Categories:
Specialty Chemicals

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Description

White to off-white crystalline powder

Mono-methyl isophthalate Basic Attributes

Molecular Weight：

180.16

Exact Mass：

180.042252

BRN：

2048750

DSSTox ID：

DTXSID00345100

HScode：

29163990

Characteristics

PSA：

63.6

XLogP3：

1.17140

Appearance：

White to off-white Crystalline Powder

Density：

1.288±0.06 g/cm3(Predicted)

Melting Point：

194-196 °C(lit.)

Boiling Point：

339.3±25.0 °C(Predicted)

Flash Point：

139.6±16.7 °C

Refractive Index：

1.556

Vapor Pressure：

3.6E-05mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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 29 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Mono-methyl isophthalate Use and Manufacturing

Exploited in the synthesis of polymer films.1

Computed Properties

Molecular Weight:180.16
XLogP3:1.8
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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