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HCID 110747Erstellt: 27. Oktober 2026

3,7-Dimethyloctanal

TETRAHYDROGERANIAL · TETRAHYDROCITRAL · 3,7-dimethyloctanal · Dihydro citronellal · Octanal, 3,7-dimethyl- · [S,(-)]-3,7-Dimethyloctanal

https://huagongshe.com/de/chemical/110747

Identifikatoren & physikalische Daten

CAS No.	25795-46-4
Summenformel	C10H20O
Durchschnittliche Molmasse	156,26 g/mol
Monoisotopische Masse	156,15141526 g/mol
SMILES	CC(C)CCCC(C)CC=O
InChIKey	UCSIFMPORANABL-UHFFFAOYSA-N
PubChem CID	110747
ChEMBL	CHEMBL3188979
EC No.	227-810-9
DTXSID	DTXSID4044826
Lokaler Name	3,7-Dimethyloctanal

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	6
Schwere Atome	11
Formalladung	0
Komplexität	97
Dichte	1.085-1.0950.8242 (rough estimate)
Löslichkeit	13 mg/L @ 20 °C (exp)Practially insoluble to insoluble in waterSoluble (in ethanol)
Siedepunkt	197.00 to 198.00 °C. @ 760.00 mm Hg270-272º220.54°C (rough estimate)
Brechungsindex	1.451-1.457 (25 °C)1.4610 (estimate)
Physical Description	LiquidClear colourless to pale yellow solutionOnion aroma with fruity undertones
Kovats Retention Index	1156
Dampfdruck	17.6Pa at 20℃
FEMA	4348 \| 3,7-DIMETHYLOCTANAL
Aggregatzustand	Liquid
Geruch	at 10.00 % in dipropylene glycol. citrus lemon green aldehydic
Geruchsart	citrus
JECFA Number	2176
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h8-10H,4-7H2,1-3H3
InChIKey	UCSIFMPORANABL-UHFFFAOYSA-N
SMILES	CC(C)CCCC(C)CC=O
LogP (Verteilungskoeffizient)	4.5 at 35℃ and pH7
EPA chemische Informationen	Octanal, 3,7-dimethyl- (5988-91-0)

Sicherheit & Vorschriften

GHS-Einstufung	Not ClassifiedReported as not meeting GHS hazard criteria by 1521 of 1695 companiesAggregated GHS information provided per 1695 reports by companies from 3 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1521 of 1695 reports by companies.There are 2 notifications provided by 174 of 1695 reports by companies with hazard statement code(s).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.
Regulatorische Informationen	Chemical: Octanal, 3,7-dimethyl-Octanal, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanal, 3,7-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 22-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21693Octanal, 3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Not Classified
Wassergefährdungsklasse (WGK)	WGK 3
TSCA-Inventar-Status	TSCA listed
Lagerklasse	11 - Combustible Solids

CAS No.

25795-46-4

Summenformel

C10H20O

Durchschnittliche Molmasse

156,26 g/mol

Monoisotopische Masse

156,15141526 g/mol

SMILES

CC(C)CCCC(C)CC=O

InChIKey

UCSIFMPORANABL-UHFFFAOYSA-N

PubChem CID

110747

ChEMBL

CHEMBL3188979

EC No.

227-810-9

DTXSID

DTXSID4044826

Lokaler Name

3,7-Dimethyloctanal

Chemische & physikalische Eigenschaften

XLogP

3,4

Polarare Oberfläche (TPSA)

17,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

Dichte

1.085-1.0950.8242 (rough estimate)

Löslichkeit

13 mg/L @ 20 °C (exp)Practially insoluble to insoluble in waterSoluble (in ethanol)

Siedepunkt

197.00 to 198.00 °C. @ 760.00 mm Hg270-272º220.54°C (rough estimate)

Brechungsindex

1.451-1.457 (25 °C)1.4610 (estimate)

Physical Description

LiquidClear colourless to pale yellow solutionOnion aroma with fruity undertones

Kovats Retention Index

1156

Dampfdruck

17.6Pa at 20℃

FEMA

4348 | 3,7-DIMETHYLOCTANAL

Aggregatzustand

Liquid

Geruch

at 10.00 % in dipropylene glycol. citrus lemon green aldehydic

Geruchsart

citrus

JECFA Number

2176

Kosmetik-Inhaltsstoffe Funktionen

PERFUMING

InChI

1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h8-10H,4-7H2,1-3H3

InChIKey

UCSIFMPORANABL-UHFFFAOYSA-N

SMILES

CC(C)CCCC(C)CC=O

LogP (Verteilungskoeffizient)

4.5 at 35℃ and pH7

EPA chemische Informationen

Octanal, 3,7-dimethyl- (5988-91-0)

Sicherheit & Vorschriften

GHS-Einstufung

Not ClassifiedReported as not meeting GHS hazard criteria by 1521 of 1695 companiesAggregated GHS information provided per 1695 reports by companies from 3 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1521 of 1695 reports by companies.There are 2 notifications provided by 174 of 1695 reports by companies with hazard statement code(s).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.

Regulatorische Informationen

Chemical: Octanal, 3,7-dimethyl-Octanal, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanal, 3,7-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 22-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21693Octanal, 3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Not Classified

Wassergefährdungsklasse (WGK)

WGK 3

TSCA-Inventar-Status

TSCA listed

Lagerklasse

11 - Combustible Solids