4'-Methylacetophenone

Names

[ CAS No. ]:
122-00-9

[ Name ]:
4'-Methylacetophenone

[Synonym ]:
4’-Methylacetophenone
1-(p-Tolyl)ethanone
4‘-Methylacetophenone
Methyl p-tolyl ketone
1-Acetyl-4-methylbenzene
p-Acetyltoluene
EINECS 204-514-8
Methyl 4-methylphenyl ketone
p-Methyl acetophenone
1-p-Tolylethanone
p-Methylacetophenone
1-(4-Methylphenyl)ethanone
MFCD00000203
Ethanone, 1-(4-methylphenyl)-
4-Methylacetophenone
1VR D1
4-Acetyltoluene

Biological Activity

[Description]:

4′-methylacetophenone can be used as a fragrance material. 4′-Methylacetophenone is wildly occurs in volatile compounds in food and in some natural complex substances (NCS)[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Api AM, et al. RIFM fragrance ingredient safety assessment, 4'-methylacetophenone, CAS Registry Number 122-00-9. Food Chem Toxicol. 2018 Dec;122 Suppl 1:S75-S83.

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
211.0±9.0 °C at 760 mmHg

[ Melting Point ]:
45-49 °C(lit.)

[ Molecular Formula ]:
C₉H₁₀O

[ Molecular Weight ]:
134.175

[ Flash Point ]:
92.2±0.0 °C

[ Exact Mass ]:
134.073166

[ PSA ]:
17.07000

[ LogP ]:
2.13

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.511

[ Water Solubility ]:
0.37 g/L (15 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM9463000

CHEMICAL NAME :: Acetophenone, 4'-methyl-

CAS REGISTRY NUMBER :: 122-00-9

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C9-H10-O

MOLECULAR WEIGHT :: 134.19

WISWESSER LINE NOTATION :: 1VR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Human

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,933,1974

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,933,1974 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,933,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83203 No. of Facilities: 38 (estimated) No. of Industries: 2 No. of Occupations: 27 No. of Employees: 5690 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83203 No. of Facilities: 325 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 3426 (estimated) No. of Female Employees: 2144 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315

[ Precautionary Statements ]:
P301 + P312 + P330

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S26-S27-S37/39-S24/25-S23

[ RIDADR ]:
UN 1325 4.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
AM9463000

[ HS Code ]:
2914399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2914399090

[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Electronic effects of para-substitution on acetophenones in the reaction of rat liver 3alpha-hydroxysteroid dehydrogenase.

Bioorg. Med. Chem. 16 , 1084-9, (2008)

Stereoselective reductive metabolism of various p-substituted acetophenone derivatives was studied using isolated rat liver 3alpha-hydroxysteroid dehydrogenase (3alpha-HSD). Kinetic experiments were p...

Related Compounds

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