Basic information
- CAS
1000-87-9- Standard SMILES
CC(C)=C=C(C)C- InChIKey
DZSNJASVIURWOG-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Names & identifiers
- Preferred name
- 2,4-Dimethylpenta-2,3-diene
- IUPAC
- 2,4-dimethylpenta-2,3-diene
- English name
- Tetramethylallene
- Molecular formula
- C7H12
- Molecular weight
- 96.17
Names & synonyms
Tetramethylallene2,4-Dimethylpenta-2,3-diene1000-87-92,4-Dimethyl-2,3-pentadiene2,3-Pentadiene, 2,4-dimethyl-EINECS 213-679-5DTXSID20142855NSC 526665RefChem:443791DTXCID1065346213-679-5InChI=1/C7H12/c1-6(2)5-7(3)4/h1-4H
Show more names
allene,tetramethyl-2,4-Dimethylpenta-2,3-dien2,3-pentadiene,2,4-dimethyl-
Allene, tetramethyl-Y6CN69J7KS(CH3)2C=C=C(CH3)2NSC-5266651,1,3,3-Tetramethylallene2,4-dimethyl-penta-2,3-dieneNSC5266652, 2,4-dimethyl-
Database identifiers
- CAS
1000-87-9- PubChem CID
- 66081
- DTXSID
DTXSID20142855- UNII
- Y6CN69J7KS
- EC Number
- 213-679-5
- Nikkaji
- J217.103A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 86.5
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -105.67 °C · -105.67°C (estimate)
- Boiling point
- 87 · 87-88 °C(lit.)
- Density
- 0.701 g/mL · 0.701 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.440(lit.)
- Flash point
- 10 °F · 10 °F
- BRN
- 1733258 · 1733258
- FDA UNII
- 6 CN69J7KS · Y6CN69J7KS
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P301+P310-P305+P351+P338-P331
- Hazard Codes
- F,Xn
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3295 3/PG 2
- risk_code
- 11-36/37/38-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,Xn
- safety_code
- 16-26-33-36-62-7/9
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H225-H304-H315-H319-H335
- Precautionary statements
- P210-P261-P301+P310-P305+P351+P338-P331
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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