Basic information
- Standard SMILES
Cc1ccccc1Cc1ccccc1- InChIKey
PQTAUFTUHHRKSS-UHFFFAOYSA-N- Molecular formula
- C14H14
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.10955045
Overview
heat transfer agent; RN given refers to cpd without specified locants
Names & identifiers
- Preferred name
- 2-Benzyltoluene
- IUPAC
- 1-benzyl-2-methylbenzene
- English name
- benzyltoluene
- Molecular formula
- C14H14
- Molecular weight
- 182.26096
Names & synonyms
2-Methyldiphenylmethane2-Benzyltoluene713-36-0o-BenzyltolueneBenzyltolueneMethane, phenyl-o-tolyl-o-Tolylphenylmethane1-Methyl-2-benzylbenzenePhenyl-o-tolylmethaneBenzene, 1-methyl-2-(phenylmethyl)-27776-01-8Monobenzyl toluene
Show more names
BenzyltoluolNeo SK-OIL 1300Benzyl toluene(Mixture)27776-01-8 benzyltolueneMethyl(phenylmethyl)benzene
Benzene, methyl(phenylmethyl)-alpha-Phenyl-o-xyleneM5THG68A7CNSC 75366EINECS 211-927-7EINECS 248-654-8NSC-753660RR5LJC1NR
Database identifiers
- CAS
27776-01-8、713-36-0- PubChem CID
- 69738
- DTXSID
DTXSID40892047- UNII
- M5THG68A7C
- EC Number
- 211-927-7、248-654-8
- Nikkaji
- J116.805C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials PropertiesDensity
Vapor Pressure0.003 [mmHg]
Physical Description
Liquid
Liquid; [IUCLID] Clear liquid with an aromatic odor; [Nisseki Chemical Texas MSDS]
Physicochemical properties
- Melting point
- -55 °C · -55 °C
- Boiling point
- 125 · 125-128 °C(Press: 7 Torr)
- Density
- 0.999 · 0.999[at 20℃]
- vapor pressure
- 0.66 · 0.66-1.33Pa at 20℃
- Viscosity
- 2.56 mm2/s · 2.56mm2/s
- Water Solubility
- 3.7 · 3.7-3.97mg/L at 20℃
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChIKey
- SIYISNUJKMAQBV-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(C)C=C1)CC1C=CC=CC=1
- LogP
- 4.35 · 4.35-4.935 at 20-25℃
- FDA UNII
- 0 RR5LJC1NR · 0RR5LJC1NR
- EPA Substance Registry System
- Benzyltoluene (27776-01-8)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 304 · H304-H410-H360FD-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264, P273, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: Benzene, methyl(phenylmethyl)-
Benzene, methyl(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, methyl(phenylmethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2131
Benzene, methyl(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Contains 2-5% 1,1-diphenylethane (CAS# 612-00-0) and 0-2% diphenylmethane (CAS# 101-81-5); A moderate skin and minor eye irritant in rabbits; Not a skin sensitizer in guinea pigs; Inhalation overexposure may cause CNS depression; An aspiration hazard by ingestion (may cause lung damage); [Nisseki Chemical Texas MSDS] See Diphenylmethane.
Hazard Classes and Categories
Asp. Tox. 1 (100%)
Skin Irrit. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- Hazard statements
- H304-H410-H360FD-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
Chemistry & industry
Uses & manufacturing
UsesUsed as a heat transfer agent; [ChemIDplus] Used as an insulating fluid for high voltage capacitors; [Nisseki Chemical Texas MSDS]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesInsulators
Industry UsesIntermediate
General Manufacturing Information
Electrical Equipment, Appliance, and Component Manufacturing
Benzene, 1-methyl-2-(phenylmethyl)-: INACTIVE
Benzene, methyl(phenylmethyl)-: ACTIVE
Suppliers39 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
airuikechemical co., ltd.+86-18353166132 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
ZHEJIANG ESTCHEM CO.,LTD15957180504 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
湖北恒捷化工有限公司15623078521; 15623078521 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
南通路特金进出口有限公司13951333918 · [email protected]
上海雪荣化学科技有限公司18201727566 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
泰安盈顺化工有限公司13854830608; 13854830608 · [email protected]
Nantong Root King lmport&Export Co.,Ltd+8615725632777 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
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