メチル1,1’ビフェニル

2-Methylbiphenyl

HCID 12563CAS 28652-72-4

基本情報

標準SMILES
Cc1ccccc1-c1ccccc1
InChIKey
ALLIZEAXNXSFGD-UHFFFAOYSA-N
分子式
C13H12
平均分子量
168.23 g/mol
単同位体質量
168.09390038

名称と識別子

優先名称
2-Methylbiphenyl
IUPAC
1-methyl-2-phenylbenzene
現地名
メチル1,1’ビフェニル
英語名
methyl-1,1'-biphenyl
分子式
C13H12
分子量
168.23438

名称と別名

2-METHYLBIPHENYL2-Phenyltoluene2-Methyl-1,1'-biphenyl1-Methyl-2-phenylbenzeneo-Methylbiphenylo-PhenyltolueneBiphenyl, 2-methyl-1,1'-Biphenyl, 2-methyl-UNII-X937MQ8S1TX937MQ8S1TNSC 5321NSC-5321
名称をさらに表示
メチル-1,1'-ビフェニルメチル1,1’ビフェニルmethyl-1,1'-biphenyl
EINECS 211-400-1ALLIZEAXNXSFGD-UHFFFAOYSA-DTXSID10881160oMethylbiphenyloPhenyltoluene2methylbiphenylBiphenyl, 2methyl1Methyl2phenylbenzene

データベース識別子

CAS
28652-72-4、643-58-3
PubChem CID
12563
DTXSID
DTXSID10881160
UNII
X937MQ8S1T
EC Number
211-400-1、249-124-9
Nikkaji
J105.830D

物性

構造計算による物性

XLogP
3.9
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
1
重原子数
13

実験および物理化学的性質

LogP4.14 /2-methyl, 3-methyl, 4-methyl biphenyl/
Density · 2 件

Sure Sol-170 boiling: 254-266 °C; vapor density: >5.0; specific gravity 1.000. /Sure Sol-170 contains 55% methylbiphenyls, 14% biphenyl, 31% other C12+ aromatic hydrocarbons by weight/

Density/specific gravity: 2-methyl: 1.010 (22/4), 3-methyl: 1.0182 (17/4), 4-methyl: 1.015 (27).

SolubilityInsoluble in water.
Flash PointSure Sol-170: 180 °F closed cup Sure Sol-175: 175 °F closed cup /Sure sol-170: 38% methylbiphenyls, 25% biphenyl, 37% dimethyl naphthalenes; sure sol-175 55% methylbiphenyls, 14% biphenyl, and 31% other C12+ aromatic hydrocarbons/
Boiling Point255.3 °C
DecompositionDecomposes to CO and asphyxiants.

物理化学的性質

融点
24.05 °C · 24.05°C
沸点
257.19 °C · 257.19°C (estimate)
比重(密度)
1.0073 · 1.0073
屈折率
1.589 · 1.5890
EPAの化学物質情報
Methylbiphenyl (28652-72-4)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationChemical: 1,1'-Biphenyl, methyl-
Hazards Summary · 2 件

Emergency treatment: see Biphenyl. [HSDB] Inhalation of high concentrations cause respiratory irritation; [CAMEO]

An irritant; [Alfa Aesar MSDS] See Biphenyl.

Special Reports · 2 件

ITC/USEPA; Information Review #358 (Draft) Methylbiphenyl (1984)

ITC/USEPA; Information Review #358A (Addendum) Methylbiphenyl (1984)

NFPA Hazard Classification · 4 件

0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.

1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

1 - Materials that in themselves are normally stable but that can become unstable at elevated temperatures and pressures.

Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (98.7%)
Skin, Eye, and Respiratory IrritationsVapors or mists of sure sol mixtures may cause irritation of the respiratory tract. /Sure sol mixtures/

安全と保護具

Fire Fighting ProceduresExtinquishing media: water fog, CO2, dry chemical
Disposal Methods · 2 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Atmospheric dyeing equipment and heat-setting equipment should be exhausted to scrubbers that wash the vapors into plant effluents for degradation.

Personal Protective Equipment (PPE) · 2 件

Wear self-contained breathing gear for fire fighting in confined spaces.

Gloves, goggles and ventilation or respiratory protective equipment should be used.

毒性情報

Body Burden · 1 件

Expired air samples collected from a prediabetic population consisting of 14 individuals contained unreported concentrations of methylbiphenyl; air samples from the control (n=20) and diabetic (n=28) groups did not contain detectable quantities of this compound(1).

Ecotoxicity ValuesLC50 fat-head minnows 1.5 mg/l 96-hr static /Sure-Sol 170/
Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 4300(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that methylbiphenyl will have only slight mobility in soil(SRC). Based on limited data, this compound is expected to biodegrade aerobically(SRC). In a screening test, methylbiphenyl at 30 mg/l reached 41% of the theoretical BOD in 2 weeks using an activated sludge inoculum(4). Dissolved air flotation effluents containing methylbiphenyl showed only trace quantities of this compound following activated sludge treatment(5,6). Volatilization of methylbiphenyl may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 4.5X10-4 atm-cu m/mole(SRC),using a recommended regression equation(7) and from dry soil surfaces(SRC) based on an estimated vapor pressure of 0.014 mm Hg(SRC), using a fragment constant method(8).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 4300(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(1), indicates that methylbiphenyl should adsorb to suspended solids and sediment in water(SRC). In a screening test, methylbiphenyl at 30 mg/l reached 41% of the theoretical BOD in 2 weeks using an activated sludge inoculum(3). Dissolved air flotation effluents containing methylbiphenyl showed only trace quantities of this compound following activated sludge treatment(4,5). Methylbiphenyl may volatilize from water surfaces based on an estimated Henry's Law constant of 4.5X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(6). Estimated half-lives for a model river and model lake are 6 hours and 6 days, respectively(1,SRC). An estimated BCF value of 830(1,SRC), from a measured log Kow(2), suggests that methylbiphenyl will bioconcentrate in aquatic organisms(SRC), according to a recommended classification scheme(7).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methylbiphenyl, which has an estimated vapor pressure of 0.014 mm Hg at 25 °C(2), will exist solely as a vapor in the ambient atmosphere. Vapor-phase methylbiphenyl is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 1-2 days(3,SRC).

Food Survey Values · 1 件

Methylbiphenyl was detected in samples of cereal products collected in 1985 which were available in Finland; concentrations were 0.6, 0.2, 0.2, 2.5, 0.6, and 0.4 ug/kg for bolted wheat flour, bolted rye flour, rolled oats, milled oats, milled wheat, and bran, respectively(1). Methylbiphenyl was detected at 0.05 ug/kg in a butter(80%) and vegetable oil mixture; in 2 of 4 cooking margerines at 0.05-0.20 ug/kg; in 4 of 8 table margarines at 0.05-0.43 ug/kg; in a cold-pressed sunflower oil at 0.18 ug/kg; in a rapeseed and turnip rapeseed oil at 0.13 ug/kg; in olive oil at 0.61 ug/kg; and in coconut oil from 0.03-18 ug/kg(2).

Adverse EffectsNeurotoxin - Other CNS neurotoxin;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Effluent Concentrations · 4 件

In wastewater from a tire manufacturing plant. /Isomers not stated/

In steam emissions from coke quenching towers. /Isomers not stated/

An extract of coal dust contained methylbiphenyl at concentrations from 1,458-5,870 ng/g(1). Methylbiphenyl was reported in sewage sludge samples from the New York area at 50-200 ng/g(2). Methylbiphenyl was emitted at 6,300 ug/kg rubber at 399 °C during a simulated rubber combustion operation using two induction furnaces for the removal of rubber from tracked-vehicle treads(3). Volatile samples collected at a hazardous waste site in New Jersey contained methylbiphenyl at unreported concentrations 25-50% of the times this site was sampled(4). Wastewater collected from the Iona Island treatment plant in 1982 contained unreported quantities of methylbiphenyl(5).

A solvent-refined coal heavy distillate (SRC II HD, 260-450 °C boiling point range) contained methylbiphenyl at 2.1 mg/g(1). Methylbiphenyl was reported in the neutral fraction of HYGAS low-temperature reactor tar from a Chicago coal gasification pilot plant at 13.3 mg/g(2). Combustion products of the Lurgi Eco Gas Procedure, where municipal waste is gasified and the purified gas is introduced into a circulating fluid bed reactor for energy production, contained 760-2900 g/Normalized-cu m methylbiphenyl in the purified gas; flue gas emissions contained from not detectable to 108 g/Normalized-cu m methylbiphenyl(detection limit not reported)(3).

法規制情報

Regulatory InformationChemical: 1,1'-Biphenyl, methyl-

安全データ

tsca
TSCA listed
有毒物質データの
28652-72-4(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 4 件

Found in the essential oil of rue root (Ruta graveolens) and crude oil; Used as a dye carrier; [HSDB]

Dye carrier.

Sure Sol-177 (80% methylbiphenyl) is used in fluid heat transfer industry.

Sure Sol-175 used as a dye carrier in the textile industry.

U.S. Production · 3 件

(1981): 1-2 million lb

(1977): 1-10 million lb by Sun Petroleum Prod Corp

(1983) 340,000 lb methylbiphenyl produced.

Formulations/Preparations · 2 件

Sure Sol-170 contains 38% methyl biphenyls, 25% biphenyl and 37% dimethyl naphthalenes.

Sure Sol-175 contains 55% methyl biphenyls, 14% biphenyl and 31% other aromatic hydrocarbons.

General Manufacturing Information · 2 件

1,1'-Biphenyl, methyl-: ACTIVE

Manufactured in a closed system.

応用分野

一般的な説明Clear light yellow liquid with an aromatic odor.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
河南萨克斯生物科技有限公司13803717460 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

関連反応

11 件

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