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4-(TERT-BUTOXY)BENZOICACID

4-(TERT-BUTOXY)BENZOICACID structure

CAS No:
13205-47-5
Formula:
C11H14O3
Chemical Name:
4-(TERT-BUTOXY)BENZOICACID
Synonyms:
4-T-BUTOXYBENZOIC ACID;4-(TERT-BUTOXY)BENZOIC ACID;RARECHEM AL BO 2404;4-tert-Butoxybenzoic acid4-tert-Butoxybenzoic acid;p-tert-Butoxybenzoic acid;4-tert-Butoxybenzoic acid 95+%;Benzoic acid, 4-(1,1-dimethylethoxy)-

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4-(TERT-BUTOXY)BENZOICACID Basic Attributes

Molecular Weight：

194.23

Exact Mass：

194.094294304 g/mol

DSSTox ID：

DTXSID50336669

HScode：

2918990090

Characteristics

PSA：

46.53000

XLogP3：

2.56210

Density：

1.106±0.06 g/cm3

Melting Point：

138-140 °C

Boiling Point：

305.1±15.0 °C(Predicted)

Flash Point：

115.2ºC

Refractive Index：

1.524

Vapor Pressure：

0.000367mmHg at 25°C

PKA：

4.49±0.10

Safety Information

Hazard category：

IRRITANT

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:194.23
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(TERT-BUTOXY)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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