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HCID 78639Erstellt: 1. November 2026

5-Methyl-5-phenylhexan-3-on

5-Methyl-5-phenyl-3-hexanone · 5-Phenyl-5-methylhexan-3-one · pepper hexanone · Einecs 225-561-0 · 5-methyl-5-phenylhexan-3-one · 5-methyl-5-phenyl-3-hexylone · 3-Hexanone, 5-methyl-5-phenyl-

https://huagongshe.com/de/chemical/78639

Molekülstruktur von 5-Methyl-5-phenylhexan-3-on

Identifikatoren & physikalische Daten

CAS No.	4927-36-0
Summenformel	C13H18O
Durchschnittliche Molmasse	190,28 g/mol
Monoisotopische Masse	190,1357652 g/mol
SMILES	CCC(=O)CC(C)(C)c1ccccc1
InChIKey	VEZKFOIEZCNFBT-UHFFFAOYSA-N
PubChem CID	78639
EC No.	225-561-0
DTXSID	DTXSID5052129
Lokaler Name	5-Methyl-5-phenylhexan-3-on

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	4
Schwere Atome	14
Formalladung	0
Komplexität	187
Duftstoffe	Fragrance Ingredient (5-Methyl-5-phenyl-3-hexanone) -> IFRA transparency List
Siedepunkt	87 °C(Press: 1 Torr)
Dichte	0.938±0.06 g/cm3(Predicted)
Dampfdruck	1.98Pa at 24℃
Geruch	at 10.00 % in dipropylene glycol. deep peppery woody rose absolute
Geruchsart	spicy
Löslichkeit	95mg/L at 24℃
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
LogP (Verteilungskoeffizient)	3.5 at 25℃
EPA chemische Informationen	3-Hexanone, 5-methyl-5-phenyl- (4927-36-0)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1555 reports by companies from 3 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: 3-Hexanone, 5-methyl-5-phenyl-Status: Active Update: 12-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/195143-Hexanone, 5-methyl-5-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Sens. 1B (97.4%)
TSCA-Inventar-Status	TSCA listed

CAS No.

4927-36-0

Summenformel

C13H18O

Durchschnittliche Molmasse

190,28 g/mol

Monoisotopische Masse

190,1357652 g/mol

SMILES

CCC(=O)CC(C)(C)c1ccccc1

InChIKey

VEZKFOIEZCNFBT-UHFFFAOYSA-N

PubChem CID

78639

EC No.

225-561-0

DTXSID

DTXSID5052129

Lokaler Name

5-Methyl-5-phenylhexan-3-on

Chemische & physikalische Eigenschaften

XLogP

3,2

Polarare Oberfläche (TPSA)

17,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

187

Duftstoffe

Fragrance Ingredient (5-Methyl-5-phenyl-3-hexanone) -> IFRA transparency List

Siedepunkt

87 °C(Press: 1 Torr)

Dichte

0.938±0.06 g/cm3(Predicted)

Dampfdruck

1.98Pa at 24℃

Geruch

at 10.00 % in dipropylene glycol. deep peppery woody rose absolute

Geruchsart

spicy

Löslichkeit

95mg/L at 24℃

Kosmetik-Inhaltsstoffe Funktionen

PERFUMING

LogP (Verteilungskoeffizient)

3.5 at 25℃

EPA chemische Informationen

3-Hexanone, 5-methyl-5-phenyl- (4927-36-0)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1555 reports by companies from 3 notifications to the ECHA C&L Inventory.

Regulatorische Informationen

Chemical: 3-Hexanone, 5-methyl-5-phenyl-Status: Active Update: 12-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/195143-Hexanone, 5-methyl-5-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Skin Sens. 1B (97.4%)

TSCA-Inventar-Status

TSCA listed