Diisopropyl Adipate (HCID 23368)

概要

Diisopropyl adipate is an isopropyl ester and a fatty acid ester.

名称と識別子

優先名称: Diisopropyl Adipate
IUPAC: dipropan-2-yl hexanedioate
現地名: アジピン酸ジイソプロピル
英語名: Diisopropyl adipate
分子式: C12H22O4
分子量: 230.3

名称と別名

DIISOPROPYL ADIPATE6938-94-9Adipic acid diisopropyl esterIsopropyl adipateCeraphyl 230Adipic acid, diisopropyl esterCrodamol DAHexanedioic acid, bis(1-methylethyl) esterBis(1-methylethyl)hexanedioateDTXSID5027641P7E6YFV72XNSC-56587

名称をさらに表示

アジピン酸ジイソプロピルアジピン酸ジイソプロピルジイソプロピル=アジパートウィッケノール116ヘキサン二酸ジイソプロピルセラフィル230スタンダムルDIPAヘキサン二酸ビス(1-メチルエチル)DIPA標準品Diisopropyl hexanedioateDIPAbetadiabeta diaNsc56587ISOADIPATcrodamoldaceraphyl230

Hexanedioic acid, 1,6-bis(1-methylethyl) esterDTXCID507641FEMA NO. 4474RefChem:587896230-072-0ProdipateStandamul DIPAWickenol 116

データベース識別子

CAS: 6938-94-9
PubChem CID: 23368
DTXSID: DTXSID5027641
ChEMBL: CHEMBL3184058
ChEBI: CHEBI:34711
UNII: P7E6YFV72X
EC Number: 230-072-0
Nikkaji: J14.488F

物性

構造計算による物性

XLogP: 2.2
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 9
重原子数: 16
形式電荷: 0
複雑度: 197

実験および物理化学的性質

Cosmetics · 2 件

Cosmetic ingredients (Diisopropyl Adipate) -> CIR (Cosmetic Ingredient Review)

Emollient

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (Diisopropyl adipate) -> IFRA transparency List

PlasticizersPlasticizer

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.963-0.968 (20 °C)

物理化学的性質

融点: -1 °C · -1°C(lit.)
沸点: 120 °C · 120 °C
比重(密度): 0 · 0,97 g/cm3
蒸気圧: 0.26 · 0.26-5.946Pa at 20-25℃
FEMA: 4474 · 4474 | DIISOPROPYL ADIPATE
屈折率: 1.422 · 1.4220-1.4250
闪点: 124 °C · 124 °C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 1000 g/L · 1000g/L in organic solvents at 20 ℃
外見: clear liquid
酸解離定数(Pka): 0 · 0[at 20 ℃]
色: Colorless to Almost colorless
比重: 0.963 · 0.963~0.970 (20/4℃)
臭い (Odor): 100 %で。マイルドなエステル系脂肪酸っぱさ · 100.00%で。マイルドなエステル系脂肪酸っぱさ
においのタイプ: エステルの香り
水溶解度: 180 · 180-500mg/L at 25-26℃
JECFA Number: 1966 · 1966
化粧品成分の機能: 溶媒皮膚コンディショニング剤 - 保湿剤スキンコンディショニング可塑剤香料
LogP: 3.389 at · 3.389 at 25℃
CAS データベース: 6938 · 6938-94-9(CAS DataBase Reference)
NISTの化学物質情報: Hexanedioic acid, bis(1-methylethyl) ester(6938-94-9)
EPAの化学物質情報: Diisopropyl adipate (6938-94-9)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 88.8% (326 of 367) of all reports.

Warning

H315 (10.4%): 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 367 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Hexanedioic acid, bis(1-methylethyl) ester

Hexanedioic acid, 1,6-bis(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-bis(1-methylethyl) 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: 28-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5933

Diisopropyl adipate: Does not have an individual approval but may be used under an appropriate group standard

EPA Safer ChemicalChemical: Diisopropyl adipate

Hazard Classes and CategoriesSkin Irrit. 2 (10.4%)

毒性情報

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

安全データ

tsca: TSCA listed
rtecs: AV1575000
hs_code: 29171200
risk_code: 36/37/38
化審法: (2)-861, (2)-879
消防法: 危-4-3-III
safety_code: 26-36/37/39-24/25

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

UsesCIR ingredient: Diisopropyl Adipate

U.S. Production2020: 75,240 lb

Industry UsesNot Known or Reasonably Ascertainable

Household ProductsInformation on 31 consumer products that contain Diisopropyl adipate in the following categories is provided:

Use Classification · 6 件

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Cosmetics -> Emollient

General Manufacturing Information · 2 件

Not Known or Reasonably Ascertainable

Hexanedioic acid, 1,6-bis(1-methylethyl) ester: ACTIVE

応用分野 · 3 件

用途プラスチック可塑剤、溶剤。

用途プラスチック可塑剤試験用標準品。

使用diisopropyl adipate is a low-viscosity emollient. It increases a preparation’s spreadability.

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

補足説明

定義本品は、アジピン酸(*)とイソプロパノール(*)のジエステルであり、次の化学式で表される。参照表示名称：アジピン酸, イソプロパノール

アジピン酸ジイソプロピル

基本情報

概要