Oxybenzone

Names

[ CAS No. ]:
131-57-7

[ Name ]:
Oxybenzone

[Synonym ]:
Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-
Benzophenone, 2-hydroxy-4-methoxy-
(2-Hydroxy-4-methoxyphenyl)(phenyl)methanone
BENZOPHENONE-3
Uvinul 3040
2-hydroxy-4-methoxyphenyl phenyl ketone
EINECS 205-031-5
Benzophenone-3 (Bp-3)
Uvinul M-40
2-hydroxy-4-methoxy benzophenone
oxybenzone
MFCD00008387
2-Hydroxy-4-methoxybenzophenone

Biological Activity

[Description]:

Oxybenzone(Eusolex 4360; Escalol 567) is an organic compound used in sunscreens; provides broad-spectrum ultraviolet coverage, including UVB and short-wave UVA rays.

[Related Catalog]:

Signaling Pathways >> Others >> Others

Research Areas >> Others

[References]

[1]. Oxybenzone, From Wikipedia

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
370.3±27.0 °C at 760 mmHg

[ Melting Point ]:
62-64 °C(lit.)

[ Molecular Formula ]:
C₁₄H₁₂O₃

[ Molecular Weight ]:
228.243

[ Flash Point ]:
140.5±17.2 °C

[ Exact Mass ]:
228.078644

[ PSA ]:
46.53000

[ LogP ]:
3.64

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.596

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
<0.1 g/100 mL at 20 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ1575000

CHEMICAL NAME :: Benzophenone, 2-hydroxy-4-methoxy-

CAS REGISTRY NUMBER :: 131-57-7

BEILSTEIN REFERENCE NO. :: 1913145

LAST UPDATED :: 199712

DATA ITEMS CITED :: 23

MOLECULAR FORMULA :: C14-H12-O3

MOLECULAR WEIGHT :: 228.26

WISWESSER LINE NOTATION :: 1OR CQ DVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7400 mg/kg

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 189 gm/kg/90D-C

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - changes in other cell count (unspecified) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8246 mg/kg/2W-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 164 gm/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - changes in platelet count

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1 gm/kg/2W-I

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6500 mg/kg/13W-I

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in other cell count (unspecified)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 104 gm/kg/2W-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 544 gm/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg/2W-I

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 45 gm/kg

SEX/DURATION :: female 90 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 54 gm/kg

SEX/DURATION :: male 90 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 333 gm/kg

SEX/DURATION :: male 13 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 297 gm/kg

SEX/DURATION :: female 13 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - menstrual cycle changes or disorders

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1268 gm/kg

SEX/DURATION :: male 13 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1687 gm/kg

SEX/DURATION :: female 13 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - menstrual cycle changes or disorders

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 5915 mg/kg

SEX/DURATION :: male 13 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 100 ug/plate

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3220 No. of Facilities: 51 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 549 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M3220 No. of Facilities: 1336 (estimated) No. of Industries: 21 No. of Occupations: 18 No. of Employees: 27518 (estimated) No. of Female Employees: 8664 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
DJ1575000

[ Packaging Group ]:
II; III

[ Hazard Class ]:
4.1

[ HS Code ]:
29145000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2914502000

[ Summary ]:
2914502000 (2-hydroxy-4-methoxyphenyl)(phenyl)methanone。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%

Articles

Study of the persistence of the anti-inflammatory effect observed after application of preparations containing organic ultraviolet filters.

Int. J. Pharm. 476(1-2) , 160-3, (2015)

Given that previous studies have highlighted the anti-inflammatory nature, which is influenced by UV radiation, of a certain number of ultraviolet filters currently used in Europe, it seemed interesti...

Atmospheric pressure gas chromatography-time-of-flight-mass spectrometry (APGC-ToF-MS) for the determination of regulated and emerging contaminants in aqueous samples after stir bar sorptive extraction (SBSE).

Anal. Chim. Acta 851 , 1-13, (2014)

This work presents the development, optimization and validation of a multi-residue method for the simultaneous determination of 102 contaminants, including fragrances, UV filters, repellents, endocrin...

Determination of nine environmental phenols in urine by ultra-high-performance liquid chromatography-tandem mass spectrometry.

J. Anal. Toxicol. 36(9) , 608-15, (2012)

A method was developed to determine nine environmental phenols, including bisphenol A, 2,3,4-trichlorophenol, 2,4,5-trichlorophenol, pentachlorophenol, triclosan (2,4,4'-trichloro-2'-hydroxyphenylethe...