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Benzaldehyde,3-(1,1-dimethylethyl)-2-hydroxy-

Benzaldehyde,3-(1,1-dimethylethyl)-2-hydroxy- structure

CAS No:
24623-65-2
Formula:
C11H14O2
Chemical Name:
Benzaldehyde,3-(1,1-dimethylethyl)-2-hydroxy-
Synonyms:
Z4487; D1421; B4016; RW2848; M-7841; QC-1600; A817
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

light yellow liquid

Benzaldehyde,3-(1,1-dimethylethyl)-2-hydroxy- Basic Attributes

Molecular Weight：

178.23

Exact Mass：

178.099380

DSSTox ID：

DTXSID20394938

HScode：

2912499000

Characteristics

PSA：

37.3

XLogP3：

3.3

Density：

1.1±0.1 g/cm3

Boiling Point：

234.3°C at 760 mmHg

Flash Point：

95.3±14.4 °C

Refractive Index：

1.554

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Xi: Irritant;

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

Benzaldehyde,3-(1,1-dimethylethyl)-2-hydroxy- Use and Manufacturing

To a stirred suspension of 2-tert-butylphenol (6)(4.55g, 30 mmol), magnesium chloride (5.71 g, 60 mmol) and paraformaldehyde (2.08 g, 66 mmol) in THF (120 mL) at room temperature, was added triethylamine (8.35 mL, 60 mmol) dropwise. The reaction was heated to reflux for 3 hours to give an orange suspension. The crude was extracted using EtOAc (3*50 mL). A small amount of diluted HCI can be added if a permanent emulsion is formed. The organic layers were dried over MgSOTo a stirred suspension of 2-terf-butylphenol (3)(4.55g, 30 mmol), magnesium chloride (5.71 g, 60 mmol) and paraformaldehyde (2.08 g, 66 mmol) in THF (120 mL) 4.6.1 Step 1:Preparative Example P7Step 1 : 3-(terf-Butyl)-2-hvdroxybenzaldehvde (P7a) A mixture of 2-(tert-butyl)phenol (15 g, 0.1 mol), EtReference Example 5

Computed Properties

Molecular Weight:178.23
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzaldehyde,3-(1,1-dimethylethyl)-2-hydroxy-

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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