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Ethyl 3-hydroxybenzoate

Ethyl 3-hydroxybenzoate structure

CAS No:
7781-98-8
Formula:
C9H10O3
Chemical Name:
Ethyl 3-hydroxybenzoate
Synonyms:
Benzoic acid,3-hydroxy-,ethyl ester;Benzoic acid,m-hydroxy-,ethyl ester;Ethyl m-hydroxybenzoate;m-Ethoxycarbonylphenol;Ethyl 3-hydroxybenzoate;3-Hydroxybenzoic acid ethyl ester;m-Hydroxybenzoic acid ethyl ester;NSC 32427
Categories:
Chemical Reagents > Organic Reagents

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Description

off-white crystalline powder

Ethyl 3-hydroxybenzoate Basic Attributes

Molecular Weight：

166.17

Exact Mass：

166.17

BRN：

2208566

EC Number：

231-951-1

NSC Number：

32427

DSSTox ID：

DTXSID10228435

HScode：

2918290000

Characteristics

PSA：

46.5

XLogP3：

2.2

Appearance：

white to off-white crystalline powder

Density：

1.2±0.1 g/cm3

Melting Point：

74 °C

Boiling Point：

187-188 °C31 mm Hg(lit.)

Flash Point：

187-188°C/31mm

Refractive Index：

1.539

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-36/37/38

safety instructions：

36-37/39-26

Marks：

Xn,Xi

Precautionary statement(s)：

P261

Hazard Statements：

H302-H315-H335

GHS Classification：

|Warning|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:166.17
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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