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HCID 72292Erstellt: 5. November 2026

Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester

MPMA · me-tpa · MPMA >99% · 4-o-methyl-tpa · 4-O-Methylphorbol myristate acetate · PHORBOL 12-MYRISTATE-13-ACETATE-4-O- & · 4-O-Methylphorbol 12-myristate 13-acetate · 4-o-methyl-12-o-tetradecanoylphorbol13-acetate

https://huagongshe.com/de/chemical/72292

Molekülstruktur von Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester

Identifikatoren & physikalische Daten

CAS No.	57716-89-9
Summenformel	C37H58O8
Durchschnittliche Molmasse	630,8 g/mol
Monoisotopische Masse	630,4131688 g/mol
SMILES	CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(OC)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O
InChIKey	VCWNAJUHTLWQQT-XCHBPHIQSA-N
PubChem CID	72292
ChEMBL	CHEMBL502491
EC No.	637-343-6
DTXSID	DTXSID00973306

Chemische & physikalische Eigenschaften

XLogP	7,1
Polarare Oberfläche (TPSA)	119
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	18
Schwere Atome	45
Formalladung	0
Komplexität	1.170
Physical Description	4-o-methyl-12-o-tetradecanoylphorbol-13-acetate appears as white crystals. (NTP, 1992)
Siedepunkt	587.19°C (rough estimate)
Dichte	1.0428 (rough estimate)
Brechungsindex	1.5290 (estimate)
Lagerbedingungen	−20°C
Aggregatzustand	viscous liquid
Farbe	light yellow
BRN	6554604
InChIKey	VCWNAJUHTLWQQT-XCHBPHIQSA-N
SMILES	CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)C(C=C(CO)C[C@@]3(OC)C2C=C(C)C3=O)C4C(C)(C)[C@]14OC(C)=O
EPA chemische Informationen	4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate (57716-89-9)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
DOT-Kennzeichnung	Poison
Brandgefahren	The flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)
Gesundheitsgefahren	SYMPTOMS: This material, upon contact with skin, may cause irritant contact de.
Reaktive Gruppe	Alcohols and Polyols
Reactivity Profile	4-O-METHYL-12-O-TETRADECANOYLPHORBOL-13-ACETATE is 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	This chemical may be sensitive to prolonged exposure to air, light and ambient temperatures. This compound will hydrolyze under alkaline or acidic conditions. (NTP, 1992)
Hazard Classes and Categories	Acute Tox. 2 (100%)
Brandbekämpfung	Fires involving this material can be controlled with a dry chemical, carbon dioxide, foam 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.

Identifikatoren & physikalische Daten

CAS No.

57716-89-9

Summenformel

C37H58O8

Durchschnittliche Molmasse

630,8 g/mol

Monoisotopische Masse

630,4131688 g/mol

SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(OC)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O

InChIKey

VCWNAJUHTLWQQT-XCHBPHIQSA-N

PubChem CID

72292

ChEMBL

CHEMBL502491

EC No.

637-343-6

DTXSID

DTXSID00973306

Chemische & physikalische Eigenschaften

XLogP

7,1

Polarare Oberfläche (TPSA)

119

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

1.170

Physical Description

4-o-methyl-12-o-tetradecanoylphorbol-13-acetate appears as white crystals. (NTP, 1992)

Siedepunkt

587.19°C (rough estimate)

Dichte

1.0428 (rough estimate)

Brechungsindex

1.5290 (estimate)

Lagerbedingungen

−20°C

Aggregatzustand

viscous liquid

Farbe

light yellow

BRN

6554604

InChIKey

VCWNAJUHTLWQQT-XCHBPHIQSA-N

SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)C(C=C(CO)C[C@@]3(OC)C2C=C(C)C3=O)C4C(C)(C)[C@]14OC(C)=O

EPA chemische Informationen

4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate (57716-89-9)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

DOT-Kennzeichnung

Poison

Brandgefahren

The flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)

Gesundheitsgefahren

SYMPTOMS: This material, upon contact with skin, may cause irritant contact de.

Reaktive Gruppe

Alcohols and Polyols

Reactivity Profile

4-O-METHYL-12-O-TETRADECANOYLPHORBOL-13-ACETATE is 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

This chemical may be sensitive to prolonged exposure to air, light and ambient temperatures. This compound will hydrolyze under alkaline or acidic conditions. (NTP, 1992)

Hazard Classes and Categories

Acute Tox. 2 (100%)

Brandbekämpfung

Fires involving this material can be controlled with a dry chemical, carbon dioxide, foam 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.