이소스테아린산

이소스테아린산 · ISOOCTADECANOIC ACID · 16-METHYLHEPTADECANOIC ACID · isostearic · Isostearinsure · Isostearic acid · 16-methyl-heptadecanoicaci · ISOSTEARIC ACID MIXED ISOMERS

https://huagongshe.com/ko/chemical/21859

식별자 및 물리적 특성

CAS No.	2724-58-5
분자식	C18H36O2
평균 분자량	284.5 g/mol
단동위원소 질량	284.27153039 g/mol
SMILES	CC(C)CCCCCCCCCCCCCCC(=O)O
InChIKey	XDOFQFKRPWOURC-UHFFFAOYSA-N
PubChem CID	21859
ChEMBL	CHEMBL1865303
ChEBI	CHEBI:84896
EC No.	220-336-3
DTXSID	DTXSID1040790
현지명	이소스테아린산

화학 및 물리적 성질

XLogP	7.2
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	15
무거운 원자 수	20
형식 전하	0
복잡도	211
지질	Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
화장품	Cosmetic ingredients (Isostearic Acid) -> CIR (Cosmetic Ingredient Review)EmulsifyingCleansingBindingSurfactant
SpringerMaterials Properties	Crystal structure
녹는점	69.5 °C67.8-68.5 °C
Physical Description	LiquidOther SolidCBI
Collision Cross Section	177.5 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1040790]
끓는 점	369.53°C (estimate)
밀도	0.89 g/mL at 25 °C(lit.)
굴절률	1.4440 (estimate)
저장 조건	2-8°C
pKa(산도 계수)	4.78±0.10(Predicted)
물리적 상태	액체
색상	Colorless to light yellow
냄새	독특한 냄새
안정성	안정적인. 타기 쉬운. 염기, 강한 산화제와 호환되지 않습니다.
화장품 원료 기능	계면활성제 - 세정결합제세척제계면활성제 - 유화제
InChI	InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey	XDOFQFKRPWOURC-UHFFFAOYSA-N
SMILES	C(O)(=O)CCCCCCCCCCCCCCC(C)C
LogP(분배 계수)	7.674 (est)

화학적 성질

solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 75% (111 of 148) of all reports.WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 148 reports by companies from 4 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
규제 정보	Chemical: Heptadecanoic acid, 16-methyl-Chemical: Isooctadecanoic acidIsooctadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isooctadecanoic acid 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: 09-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13713Heptadecanoic acid, 16-methyl-: Does not have an individual approval but may be used under an appropriate group standardIsooctadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Isooctadecanoic acid: Environment tier I assessment
Hazard Classes and Categories	Skin Irrit. 2 (25%)Not Classified
독성 요약	The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use andconcentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be basedon a QRA...Isostearic Acid...Safe for use in cosmetics, with qualifications
수질 위해 등급(WGK)	3
RTECS 번호	MI3875000
기존화학 물질	KE-24141
저장 분류	11 - Combustible Solids

용도

Isostearic acid (16-Methylheptadecanoic acid) is used in the synthesis of methyl-branched poly(hydroxyalkanoate)s, biosurfactants and silver nanoparticles.