Basic information
- CAS
627-58-7- Standard SMILES
C=C(C)CCC(=C)C- InChIKey
DSAYAFZWRDYBQY-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- 2,5-Dimethyl-1,5-hexadiene
- IUPAC
- 2,5-dimethylhexa-1,5-diene
- English name
- 2,5-DIMETHYL-1,5-HEXADIENE
- Molecular formula
- C8H14
- Molecular weight
- 110.2
Names & synonyms
2,5-DIMETHYL-1,5-HEXADIENE627-58-72,5-Dimethylhexa-1,5-dieneBimethallyl1,5-Hexadiene, 2,5-dimethyl-UNII-PHN34350EMNSC-10813PHN34350EMEINECS 211-003-3NSC 10813AI3-30528DTXSID6060844
Show more names
2,5-dimethyl-5-hexadiene2,5-dimethyl-hexa-1,5-diene2,5-Dimethyl-1,5-hexandiene
CH2=C(CH3)CH2CH2C(CH3)=CH2RefChem:829272,5Dimethylhexa1,5diene1,5Hexadiene, 2,5dimethylDTXCID0043503DSAYAFZWRDYBQY-UHFFFAOYSA-NInChI=1/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4HDimethallyl
Database identifiers
- CAS
627-58-7- PubChem CID
- 12322
- DTXSID
DTXSID6060844- UNII
- PHN34350EM
- EC Number
- 211-003-3
- Nikkaji
- J86.476E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84.6
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Vapor Pressure37.4 [mmHg]
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 75 °C · −75 °C(lit.)
- Boiling point
- 114 °C · 114 °C(lit.)
- Density
- 0.742 g/mL · 0.742 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.429(lit.)
- Flash point
- 45 °F · 45 °F
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.742 · 0.742
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- BRN
- 1697948 · 1697948
- CAS DataBase Reference
- 627 · 627-58-7(CAS DataBase Reference)
- FDA UNII
- 34350 EM · PHN34350EM
- EPA Substance Registry System
- 1 · 1,5-Hexadiene, 2,5-dimethyl- (627-58-7)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P264-P261-P271-P303+P361+P353-P370+P378-P301+P310-P331-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P235-P405-P403+P233-P501
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-36/37/38-65
- Safety Statements
- 16 · 16-26-36-62
- RIDADR
- 3295 · UN 3295 3/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29012990 · 29012990
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; An aspiration hazard by ingestion (may cause lung injury); [Sigma-Aldrich MSDS] See 1,4-Hexadiene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3295 3/PG 2
- hs_code
- 29012990
- risk_code
- 11-36/37/38-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,Xn
- safety_code
- 16-26-36-62
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225-H304-H315-H319-H335
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P264-P261-P271-P303+P361+P353-P370+P378-P301+P310-P331-P302+P352-P332+P313-P362+P364-P305+P351+P338-P337+P313-P304+P340-P312-P403+P235-P405-P403+P233-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Hexadiene, 2,5-dimethyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
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上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
上海易恩化学技术有限公司400-1332688 18019345275 · [email protected]
Related reactions
1 records
Compound notes
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