季戊四醇四苯甲酸酯

Description

pentaerythritol tetrabenzoate · CAS 4196-86-5 · C33H28O8. UNII U7L44GIS4O. Melting Point: 207 to 212 °F (NTP, 1992).

Identification

CAS Registry Number	4196-86-5
PubChem CID	20167
Molecular formula	C33H28O8
IUPAC name	[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate
UNII (FDA)	U7L44GIS4O

Computed Descriptors

Molecular Weight	552.6
XLogP3	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Exact Mass	552.17841785
Monoisotopic Mass	552.17841785
Topological Polar Surface Area	105
Heavy Atom Count	41
Formal Charge	0

Physical & Chemical Properties

Melting Point	207 to 212 °F (NTP, 1992)

Physical description & handling notes

• 2,2-bis((benzoyloxy)methyl)dibenzoate-1,3-propanediol is a cream-colored solid. (NTP, 1992)
• Other Solid
• less than 1 mg/mL at 66 °F (NTP, 1992)
• 1.2801 at 86 °F (NTP, 1992) - Denser than water; will sink

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS CIR / INCI: Cosmetic ingredients (Pentaerythrityl Tetrabenzoate) -> CIR (Cosmetic Ingredient Review)
GHS notification summary	0.4% (2 / 565)

GHS Hazard Classification

GHS notification summary	0.4% (2 / 565)
Reported hazard statements	H302 (99.6%)

Documented Uses

• CIR ingredient: Pentaerythrityl Tetrabenzoate
• 1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, 1,3-dibenzoate: ACTIVE

Synonyms

Pentaerythritol tetrabenzoate; Pentaerythrityl Tetrabenzoate; Uniplex 552; CCRIS 5971; DTXSID8024608; EINECS 224-079-8; U7L44GIS4O; 2,2-Bis((benzoyloxy)methyl)-1,3-propanediol dibenzoate; Pentaerythritol, tetrabenzoate; NSC 166502; 1,3-Propanediol, 2,2-bis((benzoyloxy)methyl)-, dibenzoate; BRN 3513249; 2,2-Bis((benzoyloxy)methyl)dibenzoate propanediol; NSC-166502; DTXCID804608; 1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, dibenzoate

Frequently Asked Questions

What are the CAS number and molecular formula of pentaerythritol tetrabenzoate?

CAS 4196-86-5; molecular formula C33H28O8; molecular weight — g/mol.

What other names is pentaerythritol tetrabenzoate known by?

Pentaerythritol tetrabenzoate, Pentaerythrityl Tetrabenzoate, Uniplex 552, CCRIS 5971, DTXSID8024608, EINECS 224-079-8.

What is the regulatory status of pentaerythritol tetrabenzoate?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; CIR / INCI: Cosmetic ingredients (Pentaerythrityl Tetrabenzoate) -> CIR (Cosmetic Ingredient Review).

Is pentaerythritol tetrabenzoate classified as hazardous?

0.4% of GHS notifications report no hazard classification (2 of 565).

What are the key physical properties of pentaerythritol tetrabenzoate?

Melting Point: 207 to 212 °F (NTP, 1992).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.