1-(4-Hydroxyphenyl)propan-1-one

Modify Date: 2025-08-20 15:38:11

1-(4-Hydroxyphenyl)propan-1-one structure	Common Name	1-(4-Hydroxyphenyl)propan-1-one
	CAS Number	70-70-2	Molecular Weight	150.174
	Density	1.1±0.1 g/cm3	Boiling Point	152-154 °C26 mm Hg(lit.)
	Molecular Formula	C₉H₁₀O₂	Melting Point	36-38 °C(lit.)
	MSDS	Chinese USA	Flash Point	>230 °F

Use of 1-(4-Hydroxyphenyl)propan-1-one

Paroxypropione is a manufactured, nonsteroidal estrogen which has been used medically as an antigonadotropin.

Name	4'-Hydroxypropiophenone
Synonym	More Synonyms

Description	Paroxypropione is a manufactured, nonsteroidal estrogen which has been used medically as an antigonadotropin.
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Endocrinology
References	[1]. Mombelli E. et al. Evaluation of the OECD (Q)SAR Application Toolbox for the profiling of estrogen receptorbinding affinities. SAR QSAR Environ Res. 2012 Jan;23(1-2):37-57.

Density	1.1±0.1 g/cm3
Boiling Point	152-154 °C26 mm Hg(lit.)
Melting Point	36-38 °C(lit.)
Molecular Formula	C₉H₁₀O₂
Molecular Weight	150.174
Flash Point	>230 °F
Exact Mass	150.068085
PSA	37.30000
LogP	1.96
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.542
InChIKey	RARSHUDCJQSEFJ-UHFFFAOYSA-N
SMILES	CCC(=O)c1ccc(O)cc1
Water Solubility	0.34 g/l (15 ºC)

1-(4-Hydroxyphenyl)propan-1-one MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UH1925000

CHEMICAL NAME :: Propiophenone, 4'-hydroxy-

CAS REGISTRY NUMBER :: 70-70-2

BEILSTEIN REFERENCE NO. :: 0907511

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C9-H10-O2

MOLECULAR WEIGHT :: 150.19

WISWESSER LINE NOTATION :: QR DV2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

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

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,29,1953

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1130 ug/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 124,212,1960

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

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 91 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 124,212,1960 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intramuscular

DOSE :: 1600 mg/kg

SEX/DURATION :: female 15-30 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Effects on Newborn - stillbirth

REFERENCE :: AOGNAX Archivio di Ostetricia e Ginecologia. (C.C. Postale N 6/19773, Naples, Italy) V.1- 1894- Volume(issue)/page/year: 66,286,1961

Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn;Xi
Risk Phrases	R36/37/38
Safety Phrases	S37-S24/25-S36-S26
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	UH1925000
HS Code	29145000

Precursor 7
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DownStream 10
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HS Code	2914501900
Summary	2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.

Toxicol. Mech. Methods 18 , 217-27, (2008)

ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifes...

Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives.

Bioorg. Med. Chem. Lett. 16 , 592-5, (2006)

4-Hydroxybenzaldehyde (HBA) derivatives were examined as inhibitors for GABA transaminase (GABA-T) and succinic semialdehyde dehydrogenase (SSADH). Investigation of structure-activity relation reveale...

Name: Antimelanogenic activity in theophylline-stimulated mouse B16-4A5 cells assessed as i...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL3864552

Name: Antimelanogenic activity in theophylline-stimulated mouse B16-4A5 cells assessed as i...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL3864553

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Cytotoxicity against theophylline-stimulated mouse B16-4A5 cells assessed as cell via...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3864561

Name: Cytotoxicity against theophylline-stimulated mouse B16-4A5 cells assessed as cell via...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3864562

Name: Antimelanogenic activity in theophylline-stimulated mouse B16-4A5 cells assessed as i...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL3864555

Name: Antimelanogenic activity in theophylline-stimulated mouse B16-4A5 cells assessed as i...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL3864556

Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

Total 433, Current Page 1 of 44

4'-hydroxy-propiophenone

H-365

EINECS 202-815-9

paroxypropione

p-Hydroxypropiophenone

4-Hydroxypropiophenone

Mepal

POP

para-hydroxy-propiophenone

1-(4-hydroxyphenyl)propan-1-one

MFCD00008745

Hypostat

p-HOC6H4COEt

PHP

1-(4-Hydroxyphenyl)-1-propanone

Paroxon

Bio-Fren

Frenon

B 360

VANATONE

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1-(4-Hydroxyphenyl)propan-1-one

Use of 1-(4-Hydroxyphenyl)propan-1-one

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