CAS 591-48-0 3-Methylcyclohexene (HCID 11573)

Substructure search Find similar structures

Basic information

CAS: 591-48-0
Standard SMILES: CC1C=CCCC1
InChIKey: UZPWKTCMUADILM-UHFFFAOYSA-N
Molecular formula: C7H12
Average molar mass: 96.173 g/mol
Monoisotopic mass: 96.09390038

Names & identifiers

Preferred name: 3-Methylcyclohexene
IUPAC: 3-Methylcyclohex-1-ene
English name: 3-METHYL-1-CYCLOHEXENE
Molecular formula: C7H12
Molecular weight: 96.17

Names & synonyms

3-METHYLCYCLOHEXENE3-Methylcyclohex-1-ene3-methyl-cyclohexenMETHYL-1-CYCLOHEXENEcyclohexene,3-methyl-3-Methylcyclohexene-13-METHYL-1-CYCLOHEXENE1-Methyl-2-cyclohexene3-Methyl-1-cyclohexene>3-Methyl-1-cyclohexene,98%

Database identifiers

CAS: 591-48-0
PubChem CID: 11573
DTXSID: DTXSID70862258
UNII: 7X3KTM424G
EC Number: 209-717-5
Nikkaji: J132.795J

Properties

Physicochemical properties

Melting point: -123.51 °C · -123.51°C
Boiling point: 104 °C · 104 °C
Density: 0.8 · 0.8
refractive index: 1.441 to · 1.4410 to 1.4440
Flash point: -3 °C · -3°C
storage temp.: Flammables area
Water Solubility: Insoluble in water
form: Liquid
color: Clear colorless
Odor: 10 %indipropylene · at 10.00%indipropylene glycol. citrus
Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKey: UZPWKTCMUADILM-UHFFFAOYSA-N
SMILES: CC1C=CCCC1
LogP: 3.454 · 3.454 (est)
CAS DataBase Reference: 591 · 591-48-0
FDA UNII: 7 X3KTM424G · 7X3KTM424G
EPA Substance Registry System: 3 · Cyclohexene, 3-methyl- (591-48-0)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Risk Statements: 11 · 11
Safety Statements

Safety & regulation

Safety data

tsca: TSCA listed
ridadr: 3295
hs_code: 29021900
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02
safety_code: 16-33
hazard_class: 3.1
packing_group: II
Hazard statements: H225
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235

Chemistry & industry

Upstream & downstream products

Downstream products

3-METHYL-2-CYCLOHEXEN-1-OL 1,2-Epoxy-3-methylcyclohexane 1-METHYL-1-CYCLOHEXENE

Suppliers37 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…