Cuminol (HCID 325)｜Huagongshe

Namen und Bezeichner

Bevorzugter Name: Cuminol
IUPAC: (4-propan-2-ylphenyl)methanol
Lokaler Name: 4-(1-Methylethyl)benzolmethanol
Englischer Name: 4-ISOPROPYLBENZYL ALCOHOL
Summenformel: C10H14O
Molmasse: 150.22

Namen und Synonyme

CuminolRefChem:5243354-isopropylbenzyl alcohol536-60-7Cumic alcohol(4-Isopropylphenyl)methanolcuminyl alcoholcuminic alcoholCumyl alcoholp-Cymen-7-olp-Isopropylbenzyl alcoholCUMIN ALCOHOL

Weitere Namen anzeigen

4-(1-methylethyl)-BenzenemethanolFEMA 2933

p-cumic alcoholBenzenemethanol, 4-(1-methylethyl)-4-(1-Methylethyl)benzenemethanolBenzyl alcohol, p-isopropyl-[4-(Propan-2-Yl)Phenyl]Methanol(4-propan-2-ylphenyl)methanolpara-cymen-7-olp-cymene-7-ol

Datenbank-Bezeichner

CAS: 536-60-7
PubChem CID: 325
DTXSID: DTXSID0021626
ChEMBL: CHEMBL3183500
ChEBI: CHEBI:27628
UNII: V261W8XR62
EC Number: 208-640-4
Nikkaji: J6.353C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Schmelzpunkt: 28 °C · 28 °C
Siedepunkt: 135 · 135-136 °C/26 mmHg (lit.)
Dichte: 0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
FEMA: 2933 · 2933 | P-ISOPROPYLBENZYL ALCOHOL
Brechungsindex: 20 · n20/D 1.519(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: alcohol: miscible
pka: 14.48 · 14.48±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly yellow
Geruch (Odor): 100 % · at 100.00 %. strong cumin caraway spicy herbal leather
Geruchsart: spicy
Biologische Quelle: synthetic
Merck: 14 · 14,2619
JECFA Number: 864 · 864
BRN: 636665 · 636665
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: 1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKey: OIGWAXDAPKFNCQ-UHFFFAOYSA-N
SMILES: CC(C)c1ccc(CO)cc1
LogP: 2.37 · 2.37
CAS Datenbank: 536 · 536-60-7(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzenemethanol, 4-(1-methylethyl)- (536-60-7)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29062990
RTECS-Nr.: GZ7260000
risk_code: 22-38-36/37/38-20/21/22
Toxizität: The acute oral LD50 in rats was reported as 1.02 g/kg (0.9-1.14 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as 2.5 g/kg (0.5-3.0 g/kg) (Moreno, 1973).
hazard_code: Xn
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralSkin Irrit. 2

Chemie und Industrie

Anwendungen · 3 Einträge

Beschreibungp-Isopropylbenzyl alcohol has an intense, persistent, caraway-like odor and an aromatic, burning taste. Prepared from cuminaldehyde with H2 or NH3 under pressure in methanol solution and in the presence of Raney Ni catalyst; or by catalytic reduction of methyl p-isopropy lbenzoate.

OccurrenceReported found in the oil from fruits of Cuminum cyminum and Carum carvi L.; also in the oils of Eucalyptus bakeris (esterified) and French lavender. Also reported found in mandarin peel oil, lingonberry, black currants, blackberry, tomato, cumin seed, peppermint oil, nutmeg, thymus, cognac, licorice, lovage seed, dill, laurel, turmeric, calabash nutmeg, angelica root oil and mastic gum leaf and fruit oil

Verwenden4-Isopropylbenzyl alcohol is occasionally used in perfume compositions for its natural and warm-herbaceous-spicy effect, perceptible in the topnote and often through the dryout. Also used in the artistic duplication of certain floral notes, such as Mimosa and Cassie, particularly in connection with Methylionones. Finds some use in flavor compositions, mainly Berry, Fruit, Spice and Liquor flavors. The concentration in the finished product will normally be about 0.5 to 35 ppm.

Darstellung

synthetischeFrom cuminaldehyde with H2 or NH3 under pressure in methanol solution and in the presence of Raney Ni catalyst, or by catalytic reduction of methyl p-isopropylbenzoate