Basic information
- CAS
5664-17-5- Standard SMILES
C=C=CC1CCCCC1- InChIKey
CQHBBSICMXUMIB-UHFFFAOYSA-N- Molecular formula
- C9H14
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 122.10955045
Names & identifiers
- Preferred name
- Cyclohexylallene
- IUPAC
- propa-1,2-dienylcyclohexane
- English name
- Cyclohexalallene
- Molecular formula
- C9H14
- Molecular weight
- 122.21
Names & synonyms
CyclohexylalleneRefChem:580842625-333-45664-17-5Cyclohexalallene(1,2-Propadienyl)cyclohexaneMFCD00190199Cyclohexane, propadienyl-1,2-PROPADIENYLCYCLOHEXANECyclohexane, 1,2-propadienyl-propa-1,2-dienyl-cyclohexane1,2-Propadienylcyclohexane #
Show more names
1-CyclohexylalleneCyclohexylallene 97%Propadienylcyclohexane1-Cyclohexylpropadiene(Propadienyl)cyclohexanepropa-1,2-dienylcyclohexanecyclohexane,1,2-propadienyl-
1-Cyclohexyl-1,2-propadieneCYCLOHEXYLALLENE, 97%1,2-Propadien-1-ylcyclohexaneSCHEMBL8916177SCHEMBL27938552propa-1,2-dien-1-ylcyclohexaneCQHBBSICMXUMIB-UHFFFAOYSA-NDTXSID701384131
Database identifiers
- CAS
5664-17-5- PubChem CID
- 21873
- DTXSID
DTXSID701384131- EC Number
- 625-333-4
- Nikkaji
- J109.025I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 56 · 56-57 °C/15 mmHg
- Density
- 0.839 g/mL · 0.839 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.483
- Flash point
- 38 °C · 38 °C
- form
- liquid
- InChI
- 1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h6,9H,1,3-5,7-8H2
- InChIKey
- CQHBBSICMXUMIB-UHFFFAOYSA-N
- SMILES
- C=C=CC1CCCCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS09
- Signal word
- Warning
- Hazard statements
- 226 · H226-H410
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 3295
- risk_code
- 10-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS09
- hazard_code
- N
- safety_code
- 16-61-60
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P242-P273
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers11 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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