Basic information
- CAS
22618-50-4- Standard SMILES
Cc1cccc(C2=CCCCC2)c1- InChIKey
WDIJGRJAKSMZRV-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Names & identifiers
- Preferred name
- m-Cyclohexen-1-yltoluene
- IUPAC
- 1-(cyclohexen-1-yl)-3-methylbenzene
- English name
- m-cyclohexen-1-yltoluene
- Molecular formula
- C13H16
- Molecular weight
- 172.27
Names & synonyms
m-Cyclohexen-1-yltoluene22618-50-41-(cyclohex-1-en-1-yl)-3-methylbenzene3'-Methyl-2,3,4,5-tetrahydro-1,1'-biphenylEINECS 245-130-0Y2O6GB00O91-(1-Cyclohexen-1-yl)-3-methylbenzeneNSC-102327UNII-Y2O6GB00O9DTXSID70177137NSC 102327Benzene, 1-(1-cyclohexen-1-yl)-3-methyl-
Show more names
1-(M-TOLYL)-1-CYCLOHEXENE3-(1-Cyclohexene-1-yl)-1-methylbenzene
RefChem:154872DTXCID3099628245-130-01-(cyclohexen-1-yl)-3-methylbenzeneBenzene,1-(1-cyclohexen-1-yl)-3-methyl-NSC102327NCIOpen2_001910SCHEMBL3233008
Database identifiers
- CAS
22618-50-4- PubChem CID
- 89774
- DTXSID
DTXSID70177137- UNII
- Y2O6GB00O9
- EC Number
- 245-130-0
- Nikkaji
- J286.261A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 76 · 76-78 °C(Press: 0.07 Torr)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- FDA UNII
- 2 O6GB00O9 · Y2O6GB00O9
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers9 total
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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