3,4-Dimethylacetophenone

HCID 77193
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Substructure searchFind similar structures

Basic information

CAS
3637-01-2
Standard SMILES
CC(=O)c1ccc(C)c(C)c1
InChIKey
WPRAXAOJIODQJR-UHFFFAOYSA-N
Molecular formula
C10H12O
Average molar mass
148.2 g/mol
Monoisotopic mass
148.088815

Names & identifiers

Preferred name
3,4-Dimethylacetophenone
IUPAC
1-(3,4-dimethylphenyl)ethanone
English name
3',4'-Dimethylacetophenone
Molecular formula
C10H12O
Molecular weight
148.2

Names & synonyms

3',4'-Dimethylacetophenone3637-01-21-(3,4-Dimethylphenyl)ethanone3,4-DimethylacetophenoneEthanone, 1-(3,4-dimethylphenyl)-1-(3,4-Dimethylphenyl)ethan-1-onePC1L145T5VAcetophenone, 3',4'-dimethyl-DTXSID0063109EINECS 222-859-2METHYL 3,4-DIMETHYLPHENYL KETONERefChem:486347
Show more names
ASISCHEM D29254Methyl(3,4-xylyl) ketoneDexmedetomidine Impurity 43
DTXCID3039165InChI=1/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3HMFCD000087433.4-Dimethylacetophenon1-acetyl-3,4-dimethylbenzene1-(3,4-dimethyl-phenyl)-ethanoneF9995-0151AKOS000119377

Database identifiers

CAS
3637-01-2
PubChem CID
77193
DTXSID
DTXSID0063109
ChEMBL
CHEMBL549898
UNII
PC1L145T5V
EC Number
222-859-2
Nikkaji
J149.366C

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Kovats Retention Index1828；1836；1831；1831；1823

Physicochemical properties

Melting point
-1.5 °C · -1.5°C
Boiling point
243 °C · 243 °C(lit.)
Density
1.001 g/mL · 1.001 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.538(lit.)
Flash point
217 °F · 217 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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

Hazard information

Regulatory InformationChemical: Ethanone, 1-(3,4-dimethylphenyl)-
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory InformationChemical: Ethanone, 1-(3,4-dimethylphenyl)-

Safety data

PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29143990
risk_code
36-20/22
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(3,4-dimethylphenyl)-: ACTIVE

Applications

Uses3′,4′-Dimethylacetophenone was used as starting reagent in the synthesis of 4-[5-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenecarboxyamide.

Upstream & downstream products

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海策嵘生物科技有限公司[email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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