新戊二醇二苯甲酸酯

Description

neopentyl glycol dibenzoate · CAS 4196-89-8 · C19H20O4. UNII JBP9MR90CQ.

Identification

CAS Registry Number	4196-89-8
PubChem CID	20169
Molecular formula	C19H20O4
IUPAC name	(3-benzoyloxy-2,2-dimethylpropyl) benzoate
UNII (FDA)	JBP9MR90CQ

Computed Descriptors

Molecular Weight	312.4
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	312.13615911
Monoisotopic Mass	312.13615911
Topological Polar Surface Area	52.6
Heavy Atom Count	23
Formal Charge	0

Physical description & handling notes

• Other Solid
• 180.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1038822]

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
GHS notification summary	98.3% (57 / 58)

GHS Hazard Classification

GHS notification summary	98.3% (57 / 58)

Documented Uses

• Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%
• Plastics -> Polymer Type -> PUR; PVC (soft)
• 2023: 1,000,000 - <8,500,000 lb
• 2020: 1,000,000 - <8,500,000 lb
• 1,3-Propanediol, 2,2-dimethyl-, 1,3-dibenzoate: ACTIVE

Synonyms

NEOPENTYL GLYCOL DIBENZOATE; 4196-89-8; 2,2-Dimethyl-1,3-propanediol dibenzoate; DTXSID1038822; UNII-JBP9MR90CQ; JBP9MR90CQ; 1,3-Propanediol, 2,2-dimethyl-, dibenzoate; 1,3-Propanediol, 2,2-dimethyl-, 1,3-dibenzoate; EINECS 224-081-9; NSC 166504; NSC-166504; DTXCID9018822; 224-081-9; RefChem:165331; 2,2-Dimethylpropane-1,3-diyl dibenzoate; 3-(benzoyloxy)-2,2-dimethylpropyl benzoate

Frequently Asked Questions

What are the CAS number and molecular formula of neopentyl glycol dibenzoate?

CAS 4196-89-8; molecular formula C19H20O4; molecular weight — g/mol.

What other names is neopentyl glycol dibenzoate known by?

NEOPENTYL GLYCOL DIBENZOATE, 4196-89-8, 2,2-Dimethyl-1,3-propanediol dibenzoate, DTXSID1038822, UNII-JBP9MR90CQ, JBP9MR90CQ.

What is the regulatory status of neopentyl glycol dibenzoate?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is neopentyl glycol dibenzoate classified as hazardous?

98.3% of GHS notifications report no hazard classification (57 of 58).

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.