아세틸트라이헥실시트레이트

Trihexyl acetylcitrate

HCID 90617CAS 24817-92-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(C)=O)C(=O)OCCCCCC
InChIKey
TUUQISRYLMFKOG-UHFFFAOYSA-N
분자식
C26H46O8
평균 분자량
486.6 g/mol
단동위원소 질량
486.31926843

개요

structure in first source

이름 및 식별자

우선 이름
Trihexyl acetylcitrate
IUPAC
trihexyl 2-acetyloxypropane-1,2,3-tricarboxylate
현지명
아세틸트라이헥실시트레이트
영어명
Trihexyl O-acetylcitrate
분자식
C26H46O8
분자량
486.64

이름 및 동의어

24817-92-3Acetyl trihexyl citratetrihexyl acetylcitrateZ94E579Y3CDTXSID3051915RefChem:109076DTXCID8030477Trihexyl O-acetylcitrate1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl estertrihexyl 2-acetyloxypropane-1,2,3-tricarboxylateacetyl tri-n-hexyl citrate1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trihexyl ester
이름 더 보기
아세틸트라이헥실시트레이트트리헥실O-아세틸시트레이트ATHCCitroflex A6TrihexylacetylcitrateAcetyltri-n-hexylcitratTri-n-hexyl acetylcitrate3-O-Acetylcitric acid trihexyl estertrihexyl 2-acetoxypropane-1,2,3-tricarboxylate
UNII-Z94E579Y3Cacetyltrihexyl citrateCITROFLEX A 6tri-n-hexyl o-acetylcitrateSCHEMBL169210Trihexyl O-acetylcitrate; ATHCTUUQISRYLMFKOG-UHFFFAOYSA-N2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, trihexyl ester

데이터베이스 식별자

CAS
24817-92-3
PubChem CID
90617
DTXSID
DTXSID3051915
UNII
Z94E579Y3C
EC Number
810-150-6
Nikkaji
J261.980F

물성

구조 계산 물성

XLogP
6.5
극성 표면적
105 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
25
무거운 원자 수
34

실험 및 물리화학적 성질

Cosmetics · 2건

Cosmetic ingredients (Acetyl Trihexyl Citrate) -> CIR (Cosmetic Ingredient Review)

Plasticiser; Chelating; Antioxidant

Physical DescriptionWet Solid; Liquid

물리화학적 성질

끓는 점
497.7 · 497.7±40.0 °C(Predicted)
밀도
1.005 g/mL · 1.005 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.447(lit.)
인화점
230 °F · >230 °F
화장품 원료 기능
피부 컨디셔닝피부 컨디셔닝 - 보습제항산화제킬레이팅가소제
LogP
8.284 · 8.284 (est)

안전 및 규제

유해성 정보

Regulatory Information · 4건

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trihexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trihexyl 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: Trihexyl O-acetylcitrate (EC: 810-150-6)

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

독성 정보

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

안전 데이터

wgk
3
tsca
TSCA listed
기존화학 물질
KE-00160

화학 및 산업

용도 및 제조

UsesCIR ingredient: Acetyl Trihexyl Citrate
U.S. Production2023: <75,000 lb
Industry UsesPlasticizer
Use ClassificationCosmetics -> Plasticiser; Chelating; Antioxidant
General Manufacturing Information · 2건

Printing Ink Manufacturing

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trihexyl ester: ACTIVE

공급사36 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]

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