4-Tert-butylcyclohex-1-ene

HCID 16688
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Basic information

CAS
2228-98-0
Standard SMILES
CC(C)(C)C1CC=CCC1
InChIKey
PJTMQLHFQYFBBB-UHFFFAOYSA-N
Molecular formula
C10H18
Average molar mass
138.25 g/mol
Monoisotopic mass
138.14085058

Names & identifiers

Preferred name
4-Tert-butylcyclohex-1-ene
IUPAC
4-tert-butylcyclohexene
English name
4-tert-Butylcyclohexene
Molecular formula
C10H18
Molecular weight
138.25

Names & synonyms

4-tert-butylcyclohex-1-eneRefChem:526869606-973-34-(tert-Butyl)cyclohex-1-ene2228-98-04-tert-Butylcyclohexene4-tert-Butyl-1-cyclohexeneCyclohexene, 4-(1,1-dimethylethyl)-Cyclohexene, 4-tert-butyl-MFCD09867949NSC 143533Cyclohexene, 4-tert-butyl- (8CI)
Show more names
4-t-butylcyclohexeneNSC1435334-tert-butyl-cyclohexene4-t-butyl-1-cyclohexeneCyclohexene,1-dimethylethyl)-SCHEMBL343093SCHEMBL455930SCHEMBL825901

Database identifiers

CAS
2228-98-0
PubChem CID
16688
DTXSID
DTXSID40862881
EC Number
606-973-3
Nikkaji
J109.444K

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point
60 °C · 60 °C(Press: 15 Torr)
Density
0.8313 g/cm3 · 0.8313 g/cm3
storage temp.
2 · Storage temp. 2-8°C
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 145 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23923
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr
1993
Signal word
Danger
Symbol(GHS)
GHS02,GHS07
hazard_class
3
packing_group
Ⅲ
Hazard statements
H226-H315-H319-H335

Chemistry & industry

Suppliers22 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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