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HCID 20168Erstellt: 4. November 2026

2-[(Benzoyloxy)methyl]-2-methylpropan-1,3-diyldibenzoat

DIBENZOATE-1,3-PROPANEDIOL · 2-HYDROXYMETHYL-2-METHYL-1,3-PROPANEDIOL TRIBENZOATE · 2-[(Benzoyloxy)methyl]-2-methyldibenzoate-1,3-propanediol · 2-[(benzoyloxy)methyl]-2-methylpropane-1,3-diyl dibenzoate · [3-(benzoyloxy)-2-(benzoyloxymethyl)-2-methylpropyl] benzoate · Dibenzoic acid 2-[(benzoyloxy)methyl]-2-methylpropane-1,3-diyl ester · benzoic acid [3-(benzoyloxy)-2-(benzoyloxymethyl)-2-methyl-propyl] ester · [2-methyl-3-phenylcarbonyloxy-2-(phenylcarbonyloxymethyl)propyl] benzoate

https://huagongshe.com/de/chemical/20168

Molekülstruktur von 2-[(Benzoyloxy)methyl]-2-methylpropan-1,3-diyldibenzoat

Identifikatoren & physikalische Daten

CAS No.	4196-87-6
Summenformel	C26H24O6
Durchschnittliche Molmasse	432,5 g/mol
Monoisotopische Masse	432,15728848 g/mol
SMILES	CC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1
InChIKey	PJLLCGNQPWXWGL-UHFFFAOYSA-N
PubChem CID	20168
EC No.	224-080-3
DTXSID	DTXSID1024590
Lokaler Name	2-[(Benzoyloxy)methyl]-2-methylpropan-1,3-diyldibenzoat

Chemische & physikalische Eigenschaften

XLogP	5,5
Polarare Oberfläche (TPSA)	78,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	12
Schwere Atome	32
Formalladung	0
Komplexität	528
Löslichkeit	less than 1 mg/mL at 68 °F (NTP, 1992)
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	2-((benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol is a cream colored powder with yellow chunks. (NTP, 1992)
EPA chemische Informationen	2-((Benzoyloxy)methyl)-2-methyl-1,3-propanediol dibenzoate (4196-87-6)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Brandgefahren	Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reaktive Gruppe	Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile	An ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Aquatic Acute 1 (100%)
Brandbekämpfung	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste Hilfe	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne Brand	SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

2-[(Benzoyloxy)methyl]-2-methylpropan-1,3-diyldibenzoat

Identifikatoren & physikalische Daten

CAS No.

4196-87-6

Summenformel

C26H24O6

Durchschnittliche Molmasse

432,5 g/mol

Monoisotopische Masse

432,15728848 g/mol

SMILES

CC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1

InChIKey

PJLLCGNQPWXWGL-UHFFFAOYSA-N

PubChem CID

20168

EC No.

224-080-3

DTXSID

DTXSID1024590

Lokaler Name

2-[(Benzoyloxy)methyl]-2-methylpropan-1,3-diyldibenzoat

Chemische & physikalische Eigenschaften

XLogP

5,5

Polarare Oberfläche (TPSA)

78,9

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

528

Löslichkeit

less than 1 mg/mL at 68 °F (NTP, 1992)

Food Contact Substances

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description

2-((benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol is a cream colored powder with yellow chunks. (NTP, 1992)

EPA chemische Informationen

2-((Benzoyloxy)methyl)-2-methyl-1,3-propanediol dibenzoate (4196-87-6)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Brandgefahren

Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

Reaktive Gruppe

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Reactivity Profile

An ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Air and Water Reactions

Insoluble in water.

Hazard Classes and Categories

Aquatic Acute 1 (100%)

Brandbekämpfung

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Erste Hilfe

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Freisetung ohne Brand

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.