Basic information
- CAS
622-96-8- Standard SMILES
CCc1ccc(C)cc1- InChIKey
JRLPEMVDPFPYPJ-UHFFFAOYSA-N- Molecular formula
- C9H12
- Average molar mass
- 120.19 g/mol
- Monoisotopic mass
- 120.09390038
Names & identifiers
- Preferred name
- 1-Ethyl-4-Methylbenzene
- IUPAC
- 1-ethyl-4-methylbenzene
- English name
- 4-Ethyltoluene
- Molecular formula
- C9H12
- Molecular weight
- 120.19
Names & synonyms
4-Ethyltoluene1-Ethyl-4-methylbenzene622-96-8P-ETHYLTOLUENEBenzene, 1-ethyl-4-methyl-p-MethylethylbenzeneToluene, p-ethyl-4-Methylethylbenzenep-Ethylmethylbenzene1-Methyl-4-ethylbenzeneDTXSID9029194G6JY83VLB5
Show more names
p-ethyl-toluen
NSC-74177DTXCID409194RefChem:98927210-761-21-Ethyl-4-methyl-benzenepara-EthyltolueneMFCD00009263NSC 74177
Database identifiers
- CAS
622-96-8- PubChem CID
- 12160
- DTXSID
DTXSID9029194- ChEMBL
CHEMBL195384- UNII
- G6JY83VLB5
- EC Number
- 210-761-2
- Nikkaji
- J2.585.381D、J43.561I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 68.1
Experimental & physicochemical properties
SolventsSolvents -> Aromatic Solvents
SpringerMaterials PropertiesBoiling point
Density.86 @ 20°C
Boiling Point162.2 °C @760 [mm Hg]
Melting Point-62.4 °C
Vapor Pressure3.0 [mmHg]
Physical Description
Liquid
Liquid; [EPA ChAMP: Hazard Characterization: p-Ethyltoluene - 2009] Colorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -62 °C · -62°C
- Boiling point
- 162 °C · 162 °C(lit.)
- Density
- 0.861 g/mL · 0.861 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.495(lit.)
- Flash point
- 98 °F · 98 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 94.9 mg/l · 94.9mg/l (experimental)
- form
- clear liquid
- color
- Colorless to Almost colorless
- explosive limit
- 1.2 · 1.2-7%(V)
- Odor Threshold
- 0.0083 ppm · 0.0083ppm
- Water Solubility
- Insoluble in water.
- BRN
- 1903007 · 1903007
- Henry's Law Constant
- 2 · 2.0×10-3 mol/(m3Pa) at 25℃, Mackay and Shiu (1981)
- Dielectric constant
- 2.24 · 2.2400000000000002
- InChI
- 1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
- InChIKey
- JRLPEMVDPFPYPJ-UHFFFAOYSA-N
- SMILES
- CCc1ccc(C)cc1
- CAS DataBase Reference
- 622 · 622-96-8(CAS DataBase Reference)
- FDA UNII
- 6 JY83VLB5 · G6JY83VLB5
- EPA Substance Registry System
- p-Ethyltoluene (622-96-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 226 · H226-H304
- Precautionary statements
- 210 · P210-P233-P240-P241-P301+P310-P331
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 10 · 10-65
- Safety Statements
- 23 · 23-24/25-62
- RIDADR
- 3295 · UN 3295 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 2550000 · XT2550000
- Autoignition Temperature
- 887 °F · 887 °F
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29029090 · 29029090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Asp. Tox. 1Flam. Liq. 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 4850 mg/kg
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (6 of 256) of reports.
Danger
H226 (91.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1-ethyl-4-methyl-
Benzene, 1-ethyl-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-ethyl-4-methyl- 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)
4-Ethyltoluene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and eye irritant in rabbits; Effects on mortality and clinical chemistry (increased ALT, alkaline phosphatase, and albumin), observed in 13-week oral studies of rats at 300 mg/kg/day; Male reproductive system effects (testicular atrophy and decreased spermatogenesis observed at 900 mg/kg; A 13-week inhalation study of rats demonstrated significant changes in liver and gonad weights at 4,800 mg/m3/day; [EPA ChAMP: Hazard Characterization: p-Ethyltoluene - 2009] May cause irritation; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 1-Ethyl-2-methylbenzene.
Hazard Classes and CategoriesFlam. Liq. 3 (91.4%)
Safety & protection
Protective Action Criteria (PAC)
15 [mg/m3]
160 [mg/m3]
960 [mg/m3]
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (rat) > 19,000 mg/m3/6hr
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XT2550000
- ridadr
- UN 3295 3/PG 3
- hs_code
- 29029090
- Toxicity
- LD50 orally in Rabbit: 4850 mg/kg
- risk_code
- 10-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_code
- Xn
- safety_code
- 23-24/25-62
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H304
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Asp. Tox. 1Flam. Liq. 3
- Autoignition Temperature
- 887 °F
- Precautionary statements
- P210-P233-P240-P241-P301+P310-P331
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 19,412,300 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesFuel agents
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, 1-ethyl-4-methyl-: ACTIVE
Applications
Uses4-Ethyltoluene is used as intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
南京道格生物医药科技有限公司025-58227606 18021503536 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海毕楷科技有限公司18516304666
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东大小化工有限公司1866-171603 18666171603 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州科为化学有限公司512-62706911 13401923197 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
25 records
Compound notes
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