己二酸二丁酯

Description

dibutyl adipate · CAS 105-99-7 · C14H26O4. UNII F4K100DXP3. Boiling Point: 183 °C; Melting Point: -38 °C; Flash Point: 113 °C c.c..

Identification

CAS Registry Number	105-99-7
PubChem CID	7784
Molecular formula	C14H26O4
IUPAC name	dibutyl hexanedioate
UNII (FDA)	F4K100DXP3

Computed Descriptors

Molecular Weight	258.35
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Exact Mass	258.18310931
Monoisotopic Mass	258.18310931
Topological Polar Surface Area	52.6
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Boiling Point	183 °C
Melting Point	-38 °C
Flash Point	113 °C c.c.
LogP	4.17

Physical description & handling notes

• COLOURLESS LIQUID.
• Solubility in water, g/100ml at 25 °C: 0.0035 (very poor)
• Relative density (water = 1): 0.96
• Relative vapor density (air = 1): 8.9
• Vapor pressure, Pa at 25 °C: 0.021
• 180.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2021866]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetic ingredients (Dibutyl Adipate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Emollient; Plasticiser; Film forming
GHS notification summary	84.9% (146 / 172)

GHS Hazard Classification

GHS notification summary	84.9% (146 / 172)
Reported hazard statements	H411 (14.5%), H361, H401

Documented Uses

• CIR ingredient: Dibutyl Adipate
• Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%
• EPA Safer Chemical Functional Use Classes -> Solvents
• Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
• Cosmetics -> Emollient; Plasticiser; Film forming
• Plastics -> Polymer Type -> PUR; PVC (soft)

Synonyms

DIBUTYL ADIPATE; 105-99-7; Dibutyl hexanedioate; Di-n-butyl adipate; Hexanedioic acid, dibutyl ester; Cetiol B; DTXSID2021866; F4K100DXP3; SABODERM DBA; NSC-8086; DTXCID901866; 203-350-4; RefChem:132929; Butyl adipate; Experimental tick repellent 3; Adipic acid dibutyl ester

Frequently Asked Questions

What are the CAS number and molecular formula of dibutyl adipate?

CAS 105-99-7; molecular formula C14H26O4; molecular weight — g/mol.

What other names is dibutyl adipate known by?

DIBUTYL ADIPATE, 105-99-7, Dibutyl hexanedioate, Di-n-butyl adipate, Hexanedioic acid, dibutyl ester, Cetiol B.

What is the regulatory status of dibutyl adipate?

Documented regulatory listings: CIR / INCI: Cosmetic ingredients (Dibutyl Adipate) -> CIR (Cosmetic Ingredient Review); CIR / INCI: Emollient; Plasticiser; Film forming.

Is dibutyl adipate classified as hazardous?

84.9% of GHS notifications report no hazard classification (146 of 172).

What are the key physical properties of dibutyl adipate?

Boiling Point: 183 °C; Melting Point: -38 °C; Flash Point: 113 °C c.c.; LogP: 4.17.

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.