Rac-(1s,4s)-4-(hydroxymethyl)cyclohexanol

HCID 12892866

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Grundinformationen

CAS: 33893-85-5
Standard-SMILES: OCC1CCC(O)CC1
InChIKey: VGRZISGVNOKTQU-LJGSYFOKSA-N
Summenformel: C7H14O2
Durchschnittliche Molmasse: 130,18 g/mol

Überblick

See also: Rac-(1r,4r)-4-(hydroxymethyl)cyclohexan-1-ol (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: Rac-(1s,4s)-4-(hydroxymethyl)cyclohexanol
IUPAC: 4-(hydroxymethyl)cyclohexan-1-ol
Englischer Name: trans-4-(Hydroxymethyl)cyclohexanol
Summenformel: C7H14O2
Molmasse: 130.19

Namen und Synonyme

rac-(1S,4S)-4-(Hydroxymethyl)cyclohexanolRefChem:873408833-814-7trans-4-(Hydroxymethyl)cyclohexanol4-(Hydroxymethyl)cyclohexanol33893-85-53685-27-63685-24-3cis-4-(Hydroxymethyl)cyclohexanol4-(hydroxymethyl)cyclohexan-1-olcis-4-Hydroxycyclohexanemethanol(1s,4s)-4-(hydroxymethyl)cyclohexan-1-ol

Weitere Namen anzeigen

trans-4-Hydroxycyclohexanemethanoltrans-4-(Hydroxymethy)cyclohexanol(1r,4r)-4-(hydroxymethyl)cyclohexanoltrans-4-(Hydroxymethyl)cyclohexan-1-oltrans-4-(Hydroxymethyl)cyclohexanol>Cyclohexanemethanol, 4-hydroxy-, trans-TRANS-4-(HYDROXYMETHYL)CYCLOHEXANOL,98.0%(GC)

4-Hydroxymethyl-cyclohexanolMFCD09866843MFCD110362484-hydroxymethylcyclohexanol(1R,4R)-4-(HYDROXYMETHYL)CYCLOHEXAN-1-OLMFCD098668464- pound hydroxymethyl pound(c)cyclohexanolCIS-4-(HYDROXYMETHYL)CYCLOHEXAN-1-OL

Datenbank-Bezeichner

CAS: 33893-85-5、3685-24-3、3685-27-6
PubChem CID: 12892866
DTXSID: DTXSID501297079
EC Number: 833-814-7、880-070-4
Nikkaji: J3.151.521A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 75

Physikochemische Eigenschaften

Schmelzpunkt: 104 °C · 104 °C
Siedepunkt: 262 · 262.0±8.0 °C(Predicted)
Dichte: 1.066 · 1.066±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 15.05 · 15.05±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2/t6-,7-
InChIKey: VGRZISGVNOKTQU-LJGSYFOKSA-N
SMILES: [C@@H]1(CO)CC[C@@H](O)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2906190090

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenTrans-4-(Hydroxymethyl)cyclohexanol can be used to synthesize certain fragrance compounds, imparting a distinct aroma. It can also serve as an intermediate in the synthesis of certain cosmetic ingredients, including moisturizers and antioxidants.