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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3021997Erstellt: 3. November 2026

2-Methyl-4-phenyl-1-pentanol

TRPA1-IN-3 · PAMPLEFLEUR · grapefruit pentanol · 2-Methyl-4-phenylpentanol · 2-methyl-4-phenylpentan-1-ol · 2-METHYL-4-PHENYL-1-PENTANOL · beta,sigma-dimethyl-benzenebutano · Benzenebutanol, .beta.,.delta.-dimethyl-

https://huagongshe.com/de/chemical/3021997

Molekülstruktur von 2-Methyl-4-phenyl-1-pentanol

Identifikatoren & physikalische Daten

CAS No.92585-24-5
SummenformelC12H18O
Durchschnittliche Molmasse178,27 g/mol
Monoisotopische Masse178,13576519 g/mol
SMILESCC(CO)CC(C)c1ccccc1
InChIKeySXGYZCMGVZKIPJ-UHFFFAOYSA-N
PubChem CID3021997
ChEMBLCHEMBL5591759
EC No.402-770-7
DTXSIDDTXSID1052616

Chemische & physikalische Eigenschaften

XLogP3
Polarare Oberfläche (TPSA)20,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen4
Schwere Atome13
Formalladung0
Komplexität127
DuftstoffeFragrance Ingredient (2-Methyl-4-phenylpentanol) -> IFRA transparency List
Siedepunkt238℃[at 101 325 Pa]
Dichte0.961[at 20℃]
Dampfdruck0.303Pa at 25℃
Löslichkeit100000 in mg/100g standard fat at 20 ℃801mg/L at 20℃
Geruchat 100.00 %. vetiver green citrus grapefruit rhubarb floral
Geruchsartcitrus
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
LogP (Verteilungskoeffizient)3.01 at 25℃
EPA chemische InformationenBenzenebutanol, .beta.,.delta.-dimethyl- (92585-24-5)

Sicherheit & Vorschriften

GHS-EinstufungWarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Regulatorische InformationenChemical: Benzenebutanol, .beta.,.delta.-dimethyl-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: 2-methyl-4-phenylpentanol (EC: 402-770-7)2-Methyl-4-phenylpentanol: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenIMAP assessments - Benzenebutanol, .beta.,.delta.-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (99.6%)Skin Sens. 1 (100%)Skin sensitisation - category 1
TSCA-Inventar-StatusTSCA listed
R-Sätze (R)43-51/53
GefahrensymboleXi,N
Sicherheitshinweise (S)24-37-61