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HCID 270628Erstellt: 27. Oktober 2026

7-Methyl-1,4-dioxaspiro[4.5]decan-8-one

112530 · NSC 113128 · 7-METHYL-1,4-DIOXA-SPIRO[4.5]DECAN-8-ONE · 4,4-(Ethylenedioxy)-2-methylcyclohexanone · )-4,4-Ethylenedioxy-2-methylcyclohexanone · 1,4-Dioxaspiro[4.5]decan-8-one, 7-methyl- · 5,5-Ethylenedioxy-1-methylcyclohexan-2-one

https://huagongshe.com/de/chemical/270628

Molekülstruktur von 7-Methyl-1,4-dioxaspiro[4.5]decan-8-one

Identifikatoren & physikalische Daten

CAS No.	702-69-2
Summenformel	C9H14O3
Durchschnittliche Molmasse	170,21 g/mol
Monoisotopische Masse	170,0942943 g/mol
SMILES	CC1CC2(CCC1=O)OCCO2
InChIKey	AFCOTJOAYFEMMV-UHFFFAOYSA-N
PubChem CID	270628
EC No.	857-891-1
DTXSID	DTXSID70297021

Chemische & physikalische Eigenschaften

XLogP	0,4
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	194
Siedepunkt	98-100℃ (4 Torr)
Dichte	1.12±0.1 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
InChI	InChI=1S/C9H14O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h7H,2-6H2,1H3
InChIKey	AFCOTJOAYFEMMV-UHFFFAOYSA-N
SMILES	O1C2(CCC(=O)C(C)C2)OCC1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Zollcode	2932990090

CAS No.

702-69-2

Summenformel

C9H14O3

Durchschnittliche Molmasse

170,21 g/mol

Monoisotopische Masse

170,0942943 g/mol

SMILES

CC1CC2(CCC1=O)OCCO2

InChIKey

AFCOTJOAYFEMMV-UHFFFAOYSA-N

PubChem CID

270628

EC No.

857-891-1

DTXSID

DTXSID70297021

Chemische & physikalische Eigenschaften

XLogP

0,4

Polarare Oberfläche (TPSA)

35,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

194

Siedepunkt

98-100℃ (4 Torr)

Dichte

1.12±0.1 g/cm3(Predicted)

Lagerbedingungen

under inert gas (nitrogen or Argon) at 2-8°C

InChI

InChI=1S/C9H14O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h7H,2-6H2,1H3

InChIKey

AFCOTJOAYFEMMV-UHFFFAOYSA-N

SMILES

O1C2(CCC(=O)C(C)C2)OCC1

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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.

Hazard Classes and Categories

Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

Zollcode

2932990090