아디프산디노르말부틸에스테르

다이뷰틸아디페이트 · 아디프산디노르말부틸에스테르 · 다이부틸아디페이트 · 다이뷰틸 아디페이트 · 다이-n-뷰틸 아디페이트 · 다이뷰틸 헥세인다이오에이트 · 뷰틸 아디페이트 · 아디프산, 다이-n-뷰틸 에스터

식별자 및 물리적 특성

CAS No.	105-99-7
분자식	C14H26O4
평균 분자량	258.35 g/mol
단동위원소 질량	258.18310931 g/mol
SMILES	CCCCOC(=O)CCCCC(=O)OCCCC
InChIKey	XTJFFFGAUHQWII-UHFFFAOYSA-N
PubChem CID	7784
ChEMBL	CHEMBL3188143
ChEBI	CHEBI:34686
EC No.	203-350-4
DTXSID	DTXSID2021866
현지명	아디프산디노르말부틸에스테르

화학 및 물리적 성질

XLogP	3.1
극성 표면적	52.6
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	13
무거운 원자 수	18
형식 전하	0
복잡도	202
LogP(분배 계수)	4.17
밀도	Relative density (water = 1): 0.960.962 g/mL at 25 °C (lit.)
용해도	Solubility in water, g/100ml at 25 °C: 0.0035 (very poor)에 용해됨클로로포름, 메탄올 (약간 용해됨)
인화점	113 °C c.c.>230 °F
끓는 점	183 °C305 °C (lit.)
녹는점	-38 °C-32 °C
증기 밀도	Relative vapor density (air = 1): 8.9
증기압	Vapor pressure, Pa at 25 °C: 0.0210.021Pa at 25℃
Physical Description	COLOURLESS LIQUID.
Kovats Retention Index	1731.61754172717331734173017321766
Collision Cross Section	180.8 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2021866]
굴절률	n20/D 1.436(lit.)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	기름
색상	무색
용해도	35mg/L at 25℃
화장품 원료 기능	용제피부 컨디셔닝 - 보습제피부 컨디셔닝가소제필름 형성제
InChI	1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
InChIKey	XTJFFFGAUHQWII-UHFFFAOYSA-N
SMILES	CCCCOC(=O)CCCCC(=O)OCCCC
LogP(분배 계수)	4.007 (est)
NIST	Hexanedioic acid, dibutyl ester(105-99-7)
EPA	Dibutyl adipate (105-99-7)

화학적 성질

It exists as a liquid between its pour point (-32.4 °C) and boiling point (165 °C at 10 mmHg). Its flash point is greater than 230F. Dibutyl adipate is soluble in alcohol and ether and insoluble in water.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 84.9% (146 of 172) of all reports.H411 (14.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 172 reports by companies from 5 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 146 of 172 reports by companies.There are 3 notifications provided by 26 of 172 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Chemical: Hexanedioic acid, dibutyl esterHexanedioic acid, 1,6-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-dibutyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5939Dibutyl adipate: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
화재 위험	Combustible.
UN 분류	UN Hazard Class: 9UN Pack Group: III
EPA Safer Chemical	Chemical: Di-n-butyl adipateGreen circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Hazard Classes and Categories	Aquatic Chronic 2 (14.5%)Reproductive toxicity - Category 2Hazardous to the aquatic environment (Acute) - Category 2Hazardous to the aquatic environment (Long-term) - Category 2

용도

Dibutyl adipate is used in cosmetic formulations as a plasticizer, a skin-conditioning agent, and a solvent .

일반 설명

Dibutyl adipate (DBA) is a plasticizer and a skin conditioning agent in cosmetics that is a mixture of a diester of butyl alcohol and adipic acid. It is soluble in water and organic solvents and does not absorb radiation in the ultraviolet region.