Basic information
- Standard SMILES
C=C(C)C(=C)C- InChIKey
SDJHPPZKZZWAKF-UHFFFAOYSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1,3-butadiene
- IUPAC
- 2,3-dimethylbuta-1,3-diene
- English name
- 2,3-DIMETHYL-1,3-BUTADIENE
- Molecular formula
- C6H10
- Molecular weight
- 82.14
Names & synonyms
2,3-DIMETHYL-1,3-BUTADIENE513-81-5BiisopropenylDiisopropenyl2,3-Dimethylbutadiene1,3-Butadiene, 2,3-dimethyl-61TUU25HCONSC-8656RefChem:818092,3-DM-B208-172-02,3-Dimethylbuta-1,3-diene
Show more names
2,3-Dimethyl-1,3-butadiene - stab with BHT-1,3-butadieneCH2=C(CH3)C(CH3)=CH22,3-DiMethylerythrene2,3-dimethyl-3-butadiene
2,3-DimethylenebutaneMFCD000085952,3-dimethyl-buta-1,3-diene2 3-DIMETHYL-1 3-BUTADIENE-D10 98 ATOM2,3-Dimethyl-1,3-butadiene (stabilized with BHT)25034-65-5NSC 8656EINECS 208-172-0
Database identifiers
- CAS
513-81-5- PubChem CID
- 10566
- DTXSID
DTXSID2022046- UNII
- 61TUU25HCO
- EC Number
- 208-172-0
- Nikkaji
- J6.282K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 66
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Other Monomers
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure152.0 [mmHg]
Physical Description
Liquid
Liquid; [Merck Index]
Physicochemical properties
- Melting point
- -76 °C · -76 °C (lit.)
- Boiling point
- 68 · 68-69 °C (lit.)
- Density
- 0.726 g/mL · 0.726 g/mL at 25 °C (lit.)
- vapor pressure
- 269 mm · 269 mm Hg ( 37.7 °C)
- refractive index
- 20 · n20/D 1.438(lit.)
- Flash point
- 8 °F · −8 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- Miscible with chloroform. Immiscible with water.
- Merck
- 14 · 14,3238
- BRN
- 605285 · 605285
- Henry's Law Constant
- 2 · 2.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Dielectric constant
- 2.1 · 2.1000000000000001
- InChI
- 1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3
- InChIKey
- SDJHPPZKZZWAKF-UHFFFAOYSA-N
- SMILES
- CC(=C)C(C)=C
- CAS DataBase Reference
- 513 · 513-81-5(CAS DataBase Reference)
- FDA UNII
- 61 TUU25HCO · 61TUU25HCO
- EPA Substance Registry System
- 1 · 1,3-Butadiene, 2,3-dimethyl- (513-81-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F
- Risk Statements
- 11 · 11
- Safety Statements
- 16 · 16-23
- RIDADR
- 3295 · UN 3295 3/PG 2
- WGK Germany
- 3 · 3
- F
- 9 · 9
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29012900 · 29012900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 · Flam. Liq. 2
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1,3-Butadiene, 2,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Butadiene, 2,3-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)
Hazards SummaryStabilized with 0.01% butylated hydroxytoluene (CAS# 128-37-0); May cause irritation; [Aldrich MSDS] Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 1,3-Butadiene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 9
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3295 3/PG 2
- hs_code
- 29012900
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 16-23
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Flam. Liq. 2
- Precautionary statements
- P210
Chemistry & industry
Uses & manufacturing
UsesFound in the 66-70 deg fraction of Puertollano shale oil; Used to make synthetic rubber and polymers; [Merck Index]
U.S. Production2023: 1,149,784 lb
Consumer UsesProcessing aids not otherwise specified
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Butadiene, 2,3-dimethyl-: ACTIVE
Applications
Uses2,3-Dimethyl-1,3-butadiene undergoes Diels Alder cycloaddition reaction and it also participates in polymerization reactions. It is also involved in manufacturing of synthetic rubber.
General Description2,3-Dimethyl-1,3-butadiene (DMBD) is a conjugated diene. It undergoes Diels Alder cycloaddition reaction with 2-thio-3-chloroacrylamides under thermal, catalytic and microwave conditions. It undergoes thermal [4+2] cycloaddition reaction with 3-acetyl-, 3-carbamoyl and 3-ethoxycarbonylcoumarins under solvent free conditions. DMBD participates in polymerization reactions in the presence of iron dichloride complexes based catalysts.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
山东玖玥生物科技有限公司15553333686
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]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [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]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南君合药业有限公司+86-13053355392 +86-13053355392
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
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]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
合肥纳禾生物科技有限公司0551-65629887 18010855303 · [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]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Related reactions
34 records
Linked notes
Loading…