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3-Ethoxybenzoic acid

3-Ethoxybenzoic acid structure

3-Ethoxybenzoic acid 

structure

Description

ChEBI: An ethoxybenzoic acid carrying an ethoxy substituent at position 3.


3-ethoxybenzoic acid is an ethoxybenzoic acid carrying an ethoxy substituent at position 3. It derives from a benzoic acid. It is a conjugate acid of a 3-ethoxybenzoate.

3-Ethoxybenzoic acid Basic Attributes

166.17

166.17

509159

210-690-7

JLG9W27PYL

DTXSID80211152

2918990090

Characteristics

46.5

2.55

1.2±0.1 g/cm3

137 °C

254.38°C (rough estimate)

124.1±13.9 °C

1.537

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

26-36

Xi

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

H315

|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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:166.17
XLogP3:2.4
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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