乙酰柠檬酸三正己酯

Trihexyl acetylcitrate

HCID 90617CAS 24817-92-3
子结构检索查找相似结构

基本信息

标准SMILES
CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(C)=O)C(=O)OCCCCCC
InChIKey
TUUQISRYLMFKOG-UHFFFAOYSA-N
分子式
C26H46O8
平均分子量
486.6 g/mol
单同位素质量
486.31926843

概述

structure in first source

名称与标识

首选名称
Trihexyl acetylcitrate
IUPAC
trihexyl 2-acetyloxypropane-1,2,3-tricarboxylate
中文名
乙酰柠檬酸三正己酯
英文名
Trihexyl O-acetylcitrate
分子式
C26H46O8
分子量
486.64

名称与别名

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
展开更多名称
乙酰柠檬酸三己酯乙酰柠檬酸三正己酯乙酰柠檬酸三正己酯 环保增塑剂ATHCATHCCitroflex 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

数据库标识

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

性质

结构计算性质

XLogP
6.5
极性表面积
105 Ų
氢键供体
0
氢键受体
8
可旋转键
25
重原子
34

实验与物化性质

Cosmetics · 2 条

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

Plasticiser; Chelating; Antioxidant

Physical DescriptionWet Solid; Liquid

物理化学性质

沸点
497.7 · 497.7±40.0 °C(Predicted)
密度
1.005 g/mL · 1.005 g/mL at 25 °C(lit.)
折射率
20 · n20/D 1.447(lit.)
闪点
230 °F · >230 °F
化妆品成分功效
SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENTANTIOXIDANTCHELATINGPLASTICISER
化妆品成分评估
Trihexyl O-acetylcitrate (24817-92-3)

安全与法规

危害信息

Regulatory Information · 4 条

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.

毒理信息

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

安全数据

wgk
3
tsca
TSCA listed

化学与工业

用途与制造

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

Printing Ink Manufacturing

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

应用领域

概述乙酰柠檬酸三正己酯属于酯类有机物，可用作增塑剂。

用途本品为无毒增塑剂，广泛应用于无毒PVC造粒，医疗制品，软质儿童玩具，油墨涂料等。

供应商36 家

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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