alpha-Oxoditane

alpha-Oxoditane - Names and Identifiers

Name	Benzophenone
Synonyms	UV500 IHT-PIBP Oxoditane Benzophenone phenyl ketone Benzophenones dipheny ketone Benzoylbenzene alpha-Oxoditane Diphenyl ketone Benzophenone,BP dipheneyl ketone Photoinitiator-BP Diphenylmethanone Oxodiphenylmethane BENZOPHENONE FLAKE BENZOPHENONE,REAGENT alpha-Oxodiphenylmethane BENZOPHENONE CRYSTALLINE melting point standard benzophenone mettler toledotm calibration substance me 18870,benzophenone
CAS	119-61-9
EINECS	204-337-6
InChI	InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey	RWCCWEUUXYIKHB-UHFFFAOYSA-N

alpha-Oxoditane - Physico-chemical Properties

Molecular Formula	C13H10O
Molar Mass	182.22
Density	1.11
Melting Point	47-51 °C (lit.)
Boling Point	305 °C (lit.)
Flash Point	>230°F
JECFA Number	831
Water Solubility	insoluble (
Solubility	ethanol: soluble100mg/mL, clear, colorless (80% ethanol)
Vapor Presure	1 mm Hg ( 108 °C)
Vapor Density	4.21 (vs air)
Appearance	White crystal
Color	White to off-white
Odor	Characteristic.
Merck	14,1098
BRN	1238185
Storage Condition	Store below +30°C.
Stability	Stable. Incompatible with strong oxidizing agents, strong reducing agents. Combustible.
Sensitive	Sensitive to light
Refractive Index	1.5893
MDL	MFCD00003076
Physical and Chemical Properties	density 1.11 melting point 47-49°C boiling point 305°C refractive index 1.5893 flash point 143°C water-soluble insoluble (<0.1g/100 mL 25°C)
Use	Pigment, medicine, perfume, insecticide intermediate, can also be used for UV curing resin, ink and coating photoinitiator

alpha-Oxoditane - Risk and Safety

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R67 - Vapors may cause drowsiness and dizziness R65 - Harmful: May cause lung damage if swallowed R62 - Possible risk of impaired fertility R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R48/20 - R11 - Highly Flammable R40 - Limited evidence of a carcinogenic effect
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S37/39 - Wear suitable gloves and eye/face protection S29 - Do not empty into drains. S60 - This material and its container must be disposed of as hazardous waste. S36 - Wear suitable protective clothing. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S36/37 - Wear suitable protective clothing and gloves. S33 - Take precautionary measures against static discharges. S16 - Keep away from sources of ignition. S9 - Keep container in a well-ventilated place.
UN IDs	UN 3077 9/PG 3
WGK Germany	2
RTECS	DI9950000
FLUKA BRAND F CODES	10
TSCA	Yes
HS Code	29143900
Hazard Class	9
Packing Group	III
Toxicity	LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit 3535 mg/kg

alpha-Oxoditane - Upstream Downstream Industry

Raw Materials	Benzene Benzene Benzoyl chloride Benzoyl chloride Aluminum chloride Carbon tetrachloride Carbon tetrachloride
Downstream Products	Benzhydrol Benzophenone hydrazone

alpha-Oxoditane - Introduction

Rose fragrance, insoluble in water, soluble in ethanol, ether and chloroform.

Last Update：2022-10-16 17:12:29

alpha-Oxoditane - Reference Information

FEMA	2134 \| BENZOPHENONE
LogP	3.18 at 25℃
NIST chemical information	Information provided by: webbook.nist.gov (external link)
(IARC) carcinogen classification	2B (Vol. 101) 2013
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
overview	benzophenone is a colorless prismatic crystal with sweet and rose flavor, melting point 47-49 ℃, relative density 1.1146, refractive index 1.6077. Soluble in ethanol, ether, chloroform and other organic solvents and monomers, insoluble in water. It is a free radical photoinitiator, mainly used in free radical UV curing systems, such as coatings, inks, adhesives, etc. It is also an intermediate for organic pigments, medicines, fragrances, and pesticides. In the pharmaceutical industry, it is mainly used to produce bicyclohexpiperidine, benzopropine hydrobromide, diphenhydramine hydrochloride, etc. This product is also a styrene polymerization inhibitor and fragrance fixer, which can give the fragrance a sweet flavor and is widely used in perfumes and soap flavors. The product should be moisture-proof, sun-proof, and away from heat sources during storage and transportation, and its temperature should not exceed 45°C.
application of benzophenone in sunscreen cosmetics	sunscreen cosmetics are hot new products in the cosmetics field. at present, almost all sunscreen products on the market contain benzophenone compounds. Benzophenone compounds can protect the skin from damage and are often used to produce high-quality products. In recent years, the consumption of benzophenone in cosmetics has been increasing. Recent studies believe that fluorescence is also a harmful ultraviolet light source, so the application range of benzophenone in the field of cosmetics has been expanding to hair conditioners, lotions and lipstick. In addition, it is also a fragrance fixer, which can give spices a sweet smell and is used in many perfumes and soap flavors. Banana Boat has developed a UVA ultraviolet absorption technology called AvoTriplex, which is based on benzophenone and adds a stabilizer to prevent benzophenone from decomposing in sunlight. A enhancer is also added to the formula, which can work synergistically with the stabilizer to optimize the sunscreen ability of benzophenone.
synthesis and kinetics of large molecular weight benzophenone photoinitiator	using 4-hydroxybenzophenone (HBP), toluene -2,4-diisocyanate (TDI) and 4,4 '-dihydroxybenzophenone (DHBP) as raw materials, a large molecular weight benzophenone photoinitiator: HBP-TDI-DHBP-TDI-HBP(HTDTH) was synthesized through a two-step reaction. The photopolymerization kinetics of HTDTH was studied by real-time infrared. The results show that HTDTH is an effective photoinitiator. When HTDTH/amine light-initiated system is used to initiate the polymerization of dipropylene glycol diacrylate (TPGDA), the reaction rate (Rp) and monomer final conversion rate (P) increase simultaneously with the increase of amine and initiator concentration.>2008, vol. 26, No. 04, author: Wang Ying, Xiao Pu, Dai Mingzhi, Wu Gangqiang, Shi Suqing, Nie Jun,
anhydrous indicator	benzophenone is widely used as an indicator in synthetic experiments and can be used as an indicator for treating toluene, benzene, THF, acetonitrile, etc. Indicator; if a beautiful blue appears after adding, it can be distilled and used. It is best stored in sodium, but there are many opinions about why blue is generated. Mo Zong I, not the same. The reason is now extracted from a foreign book on the mechanism of the reaction: The general meaning of the translation into Chinese is: 'The free radical anion generated by ketone is called carbonyl radical, and benzophenone is used as an indicator. The oxygen atom in the ketone seizes the electrons in the sodium and generates the dark blue carbonyl radical; the free radical is stable in terms of three-dimensional and electrical properties, and is mainly used to indicate the'oxygen-free condition '! Wide range of uses. '. After adding benzophenone, the bluer the solution, the less oxygen in the solution, and indirectly the less moisture. However, whether it turns blue is related to the amount of benzophenone added and the solvent to be treated. THF(300ml) contains more water and needs to be refluxed for more than 6 hours. Of course, it is related to the amount of solvent to be treated. The more it is, the longer the time, and the less the reflux time with less water in toluene, benzene, etc. It is better to add ordinary desiccants such as potassium carbonate, sodium sulfate, sodium hydroxide, etc. for pretreatment, so the time will be shortened.
toxicity	GRAS(FEMA). LD502897mg/kg (mouse, oral).
usage limit	FEMA(mg/kg): soft drink 0.50; Cold drink 0.61; Candy 1.7; Baked food 2.4. Moderate limit (FDA § 172.515,2000).
use	used for photosensitive resins, coatings, adhesives, etc. GB 2760-1996 provisions are allowed to use food spices. Mainly used to prepare vanilla, cream and other flavors and as fixative. It can be used as a fixative. Its weak sweet fragrant leaf fragrance can be widely used in medium and low-grade flavors, such as rose, geranium, sweet bean flower, shy flower, lily of the valley, sunflower, grass orchid, hawthorn flower, fragrant Wei and oriental fragrance. Soap is also used as an antioxidant, and occasionally in trace amounts of edible flavors such as almonds, berries, fresh fruits, cream, nuts, peaches, vanilla beans, etc. Br> Benzophenone is an intermediate of ultraviolet absorber, organic pigment, medicine, perfume and pesticide. In the pharmaceutical industry, it is used to produce bicyclohexpiperidine, benzoate hydrobromide, diphenhydramine hydrochloride, etc. The product itself is also a styrene polymerization inhibitor and fragrance fixer. It can give the essence a sweet smell and is used in many perfumes and soap flavors. commonly used in soap essence, used in the production of ultraviolet absorbers, pigments, medicines and reagents, and is also a low-temperature rapid vulcanizing agent for fluororubber UV curable coatings and inks used in UV products photoinitiators, pharmaceutical intermediates, fragrances, light stabilizers and other aspects pigments, medicines, fragrances, pesticides intermediates, it can also be used as a photoinitiator for UV-curable resins, inks and coatings Benzophenone is an ultraviolet absorber and initiator, an intermediate for organic pigments, medicines, fragrances, and pesticides. It is used in the pharmaceutical industry to produce bicyclo. Piperidine, benzophenol hydrobromide, diphenhydramine salt, etc., are also styrene polymerization inhibitors and fragrance fixers, which can give fragrances a sweet breath and are used in many perfumes and soap fragrances.
production method	there are many methods. 1. It is obtained by condensation of benzyl chloride with benzene and oxidation by nitric acid. 2. It is obtained by condensation of benzene with carbon tetrachloride and hydrolysis. In the laboratory, aluminum trichloride is used as a catalyst to react benzene with benzoyl chloride. It is obtained by condensation of benzene and benzoyl chloride in the presence of aluminum chloride, and then crystallizing in ethanol.
category	flammable liquid
toxicity classification	poisoning
acute toxicity	oral administration-mouse LD50: 2895 mg/kg; Abdominal cavity-mouse LD50: 727 mg/kg
Explosive hazard characteristics	Intense reaction with oxidant
flammability hazard characteristics	it is more flammable when heated; combustion produces stimulating smoke
storage and transportation characteristics	ventilation and low temperature drying
fire extinguishing agent	dry powder, foam, sand, carbon dioxide, mist water
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)