4-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester

HCID 24124

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Grundinformationen

CAS: 7500-55-2
Standard-SMILES: COC(=O)C1CC=CCC1C(=O)OC
InChIKey: DVVAGRMJGUQHLI-UHFFFAOYSA-N
Summenformel: C10H14O4
Durchschnittliche Molmasse: 198,22 g/mol
Monoisotopische Masse: 198,08920892

Namen und Bezeichner

Bevorzugter Name: 4-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
IUPAC: dimethyl cyclohex-4-ene-1,2-dicarboxylate
Englischer Name: dimethyl cyclohex-3-ene-1,6-dicarboxylate
Summenformel: C10H14O4
Molmasse: 198.22

Namen und Synonyme

Dimethyl 4-cyclohexene-1,2-dicarboxylate7500-55-24-CYCLOHEXENE-1,2-DICARBOXYLIC ACID, DIMETHYL ESTERNSC 401683BRN 1876401AI3-034084-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl esterDTXSID50884392RefChem:522301DTXCID801000932633-295-5dimethyl cyclohex-4-ene-1,2-dicarboxylate

Weitere Namen anzeigen

RP-1【ester】dimethyl cyclohex-3-ene-1,6-dicarboxylate4-Cyclohexene-1,2-dicarboxylic acid dimethyl ester1-Cyclohexene-4,5-dicarboxylic acid dimethyl ester(1R)-4-Cyclohexene-1β,2β-dicarboxylic acid dimethyl ester(1S,2S)-4-Cyclohexene-1,2-dicarboxylic acid dimethyl ester(1R,2R)-4-Cyclohexene-1,2-dicarboxylic acid dimethyl ester

RP 1 (ester)RP 1Dimethyl trans-cyclohex-4-ene-1,2-dioatestarbld0018115cis-4-Cyclohexene-1,2-dicarboxylic Acid Dimethyl EsterNCIOpen2_000700SCHEMBL4180704-Cyclohexene-1, dimethyl ester

Datenbank-Bezeichner

CAS: 7500-55-2
PubChem CID: 24124
DTXSID: DTXSID50884392
EC Number: 633-295-5
Nikkaji: J15.014B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 231

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1359；1365；1373；1381

Physikochemische Eigenschaften

EPA chemische Informationen: 4 · 4-Cyclohexene-1,2-dicarboxylic acid, dimethyl ester (7500-55-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.