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4′-tert-Butylacetophenone

4′-tert-Butylacetophenone structure

CAS No:
943-27-1
Formula:
C12H16O
Chemical Name:
4′-tert-Butylacetophenone
Synonyms:
Ethanone,1-[4-(1,1-dimethylethyl)phenyl]-;Acetophenone,4′-tert-butyl-;1-[4-(1,1-Dimethylethyl)phenyl]ethanone;4′-tert-Butylacetophenone;p-tert-Butylacetophenone;p-tert-Butylacetylbenzene;NSC 826;4-tert-Butylphenyl methyl ketone;1-(4-tert-Butylphenyl)ethanone;4-t-Butylacetophenone;1-[4-(tert-Butyl)phenyl]ethan-1-one
Categories:
Cosmetic Ingredient > Perfuming

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Description

clear colorless liquid

4′-tert-Butylacetophenone Basic Attributes

Molecular Weight：

176.259

Exact Mass：

176.25

EC Number：

213-399-3

UNII：

JAH8J5D78Y

NSC Number：

826

DSSTox ID：

DTXSID4061337

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

3.35

Appearance：

Clear almost colorless liquid. Mild odor.

Density：

0.9±0.1 g/cm3

Melting Point：

17.7 °C

Boiling Point：

97-98 °C @ Press: 0.8 Torr

Flash Point：

30.0±0.0 °C

Refractive Index：

1.494

Water Solubility：

H2O: insoluble

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1224 3/PG 3

wgk germany：

hazard class code：

R10;R20/21/22;R36/37/38

safety instructions：

S16-S29-S33-S36/37/39-S26

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P210-P370 + P378

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (95.24%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 155 companies from 4 notifications to the ECHA C&L Inventory.

4′-tert-Butylacetophenone Use and Manufacturing

Uses

4-tert-Butylacetophenone is an Impurity arising in the synthesis of Ebastine (E320000). Ebastine Impurity B.

Manufacturing Info：

Ethanone, 1-[(1,1-dimethylethyl)phenyl]-: INACTIVE|Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-: ACTIVE

Computed Properties

Molecular Weight:176.25
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:176.120115130
Monoisotopic Mass:176.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:180
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4′-tert-Butylacetophenone

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
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4-tert-Butylacetophenone

CAS No.: 943-27-1

Content: 99.00%

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Greenbo Biochem Contact Supplier

CN
5 YRS

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Manufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED Intermediates

4'-tert-Butylacetophenone 99% high purity certified Professional producer Greenbo

CAS No.: 943-27-1

Grade: Industrial Grade

Content: 99%

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Guide of 4′-tert-Butylacetophenone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4′-tert-Butylacetophenone

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