Basic information
- CAS
625-84-3- Standard SMILES
Cc1ccc(C)[nH]1- InChIKey
PAPNRQCYSFBWDI-UHFFFAOYSA-N- Molecular formula
- C6H9N
- Average molar mass
- 95.14 g/mol
- Monoisotopic mass
- 95.07349929
Names & identifiers
- Preferred name
- 2,5-Dimethylpyrrole
- IUPAC
- 2,5-dimethyl-1H-pyrrole
- English name
- 2,5-Dimethyl-1H-pyrrole
- Molecular formula
- C6H9N
- Molecular weight
- 95.14
Names & synonyms
2,5-Dimethyl-1H-pyrrole625-84-32,5-DIMETHYLPYRROLE1H-Pyrrole, 2,5-dimethyl-Pyrrole, 2,5-dimethyl-MZ3OYF5521NSC-4507DTXSID40211552RefChem:444609DTXCID70134043210-913-82,5-Dimethylazole
Show more names
Dimethylpyrrole2,5-dimethyl-pyrrol2,5-DMP2,5-dimethyl-1h-pyrrol2,5-1H-dimethylpyrrole2,5-DIMETHYPYRROLE2,5-bimethylpyrrol2,5-DIMETHYLPYROLE
Pyrrole,2,5-dimethylMFCD000052232,5-dimethyl-pyrrolePolypyrrole (Undoped, Deprotonated)2,5-Dimethylpyrrole, 98%2,5-DIMETHYL PYRROLEPyrrole,5-dimethyl-2, 5-Dimethylpyrrole
Database identifiers
- CAS
625-84-3- PubChem CID
- 12265
- DTXSID
DTXSID40211552- ChEMBL
CHEMBL3901947- ChEBI
CHEBI:185789- UNII
- MZ3OYF5521
- EC Number
- 210-913-8
- Nikkaji
- J95.507H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 53
Experimental & physicochemical properties
LogP1.47
Boiling Point168.00 to 171.00 °C. @ 740.00 mm Hg
Melting Point7.7 °C
Vapor Pressure0.8 [mmHg]
Physical Description
Liquid
Melting point = 7.7 deg C; [ChemIDplus] Liquid; [Aldrich MSDS]
Liquid
Kovats Retention Index
898；890；898；900；900；902
937；867
1589；1579；1589；1590；1600；1610；1635；1608.3；1601
Physicochemical properties
- Melting point
- 6.5 °C · 6.5°C
- Boiling point
- 165 °C/740 · 165 °C/740 mmHg (lit.)
- Density
- 0.935 g/mL · 0.935 g/mL at 25 °C (lit.)
- vapor pressure
- 44 · 44-490Pa at 20-50℃
- refractive index
- 20 · n20/D 1.505(lit.)
- Flash point
- 130 °F · 130 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- pka
- 18.46 · 18.46±0.50(Predicted)
- form
- Crystalline Powder and/or Chunks
- Specific Gravity
- 0.935 · 0.935
- color
- Yellow to orange-yellow
- InChI
- 1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3
- InChIKey
- PAPNRQCYSFBWDI-UHFFFAOYSA-N
- SMILES
- Cc1ccc(C)[nH]1
- LogP
- 1.47 · 1.470
- CAS DataBase Reference
- 625 · 625-84-3(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2,5-DIMETHYLPYRROLE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 OYF5521 · MZ3OYF5521
- NIST Chemistry Reference
- 1 H-Pyrrole, · 1H-Pyrrole, 2,5-dimethyl-(625-84-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301+H311+H331-H315-H319-H335
- Precautionary statements
- 210 · P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,F
- Risk Statements
- 10 · 10-23/24/25-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39-45
- RIDADR
- 1992 · UN 1992 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 9465930 · UX9465930
- TSCA
- TSCA listed
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- 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
Danger
H226 (99.8%): Flammable liquid and vapor [Warning Flammable liquids]；H301 (99.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1564 reports by companies from 6 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.
Hazard information
Regulatory Information
Chemical: 1H-Pyrrole, 2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1H-Pyrrole, 2,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Pyrrole, 2,5-dimethyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25447
1H-Pyrrole, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses somnolence, dyspnea, and diarrhea in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion and skin absorption; Highly toxic by inhalation; [Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (99.8%)；Acute Tox. 3 (99.8%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Regulatory information
Regulatory Information
Chemical: 1H-Pyrrole, 2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1H-Pyrrole, 2,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Pyrrole, 2,5-dimethyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25447
1H-Pyrrole, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UX9465930
- ridadr
- UN 1992 3/PG 3
- hs_code
- 29339900
- risk_code
- 10-23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- T,F
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H301+H311+H331-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Uses & manufacturing
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 50,000 - <250,000 lb；2022: 50,000 - <250,000 lb；2021: <50,000 lb；2020: 50,000 - <250,000 lb
Industry UsesCatalyst
General Manufacturing Information
Petrochemical Manufacturing
1H-Pyrrole, 2,5-dimethyl-: ACTIVE
Applications
Uses2,5-Dimethyl-1H-pyrrole is used as a spice and flavor enhancer.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州市尧光科技有限公司13020159086 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Syntechem Co.,Ltd[email protected]
北京颖诺凯胜科技有限公司010-56541685 13070143590 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
杭州东帆化学有限公司86-0571-85151182
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [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]
越林试剂021-62960152 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
晟斯化工科技（上海）有限公司+86 13590492756 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
北京国方鼎盛科技有限公司18610472091 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
Additional notes
DefinitionChEBI: 2,5-Dimethyl-1H-pyrrole is a member of pyrroles.
Related reactions
27 records
Compound notes
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