1,10-デカンジオール

1,10-Decanediol

HCID 37153CAS 112-47-0
部分構造検索類似構造を探す

基本情報

標準SMILES
OCCCCCCCCCCO
InChIKey
FOTKYAAJKYLFFN-UHFFFAOYSA-N
分子式
C10H22O2
平均分子量
174.28 g/mol
単同位体質量
174.16197994

概要

1,10-decanediol has been reported in Perilla frutescens with data available.

名称と識別子

優先名称
1,10-Decanediol
IUPAC
decane-1,10-diol
現地名
1,10-デカンジオール
英語名
1,10-Decanediol
分子式
C10H22O2
分子量
174.28

名称と別名

1,10-Decanediol112-47-0Decamethylene glycolDecamethylenediol1,10-Dihydroxydecane1,10-Decamethylenediolalpha,omega-Decanediol5I577UDK52NSC-17165SPEZIOL C 10/2DTXSID3059420RefChem:71143
名称をさらに表示
1,10-デカンジオールデカン-1,10-ジオールデカメチレングリコール1,10-ジヒドロキシデカン1,10-デカジオール1,10-デカンジオル1，10デカンジオール1,10‐デカンジオール1,10-デカンジオール, 97%DecanediolNSC406706NSC 406706NSC-406706Cetanediol10-Decanediol1,10-Decadiol1,10-Decandiol1, 10 - decane
DTXCID4033261203-975-2Decane-1,10-diol1,10-Decamethylene diol1,6-Bis(2-hydroxyethyl)hexane.alpha.,.omega.-DecanediolNSC 17165MFCD00004749

データベース識別子

CAS
112-47-0
PubChem CID
37153
DTXSID
DTXSID3059420
UNII
5I577UDK52
EC Number
203-975-2
Nikkaji
J10.105B

物性

構造計算による物性

XLogP
2.5
極性表面積
40.5 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
9
重原子数
12

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (1,10-Decanediol) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesDensity
Physical Description · 2 件

Liquid

Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
70 · 70-73 °C
沸点
297 °C · 297 °C
比重(密度)
1 · 1,08 g/cm3
蒸気圧
0.1 hPa · <0.1 hPa (20 °C)
屈折率
1.4603 · 1.4603 (estimate)
闪点
152 °C · 152 °C

化学的性質

化学的特性white crystals or powder. Practically insoluble in water. Soluble in alcohol and oils. Very faint, sweet-musty odor. Bland taste.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 99.3% (148 of 149) of all reports.

Not Classified

Aggregated GHS information provided per 149 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,10-Decanediol

1,10-Decanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,10-Decanediol 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: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19334

1,10-Decanediol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryIntraperitoneal lethal-dose (mouse) > 500 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 1-Decanol.
Hazard Classes and CategoriesNot Classified

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

wgk
1
tsca
TSCA listed
rtecs
HD8433713
毒性
LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rat > 2000 mg/kg
hs_code
29053980
化審法
(2)-240

化学と産業

用途と製造

Uses · 2 件

CIR ingredient: 1,10-Decanediol

Used as an intermediate in organic synthesis; [ExPub: EPA - TSCATS]

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1,10-Decanediol: ACTIVE

応用分野 · 2 件

用途有機合成原料(医薬、香料、樹脂)。

使用1,10-Decanediol is an minor intermediate in the production of polyesters. It also used in essence, perfumes and in pharmaceuticals. The diacrylate is hydrophobic and used for flexible dental materials, radiation curable coatings, and for lenses.

調製方法

製造方法1,10-Decanediol is produced from sebacic acid by a hydrogenation process analogous to that described for 1,6-hexanediol.

純化方法Crystallise the diol from dry ethylene dichloride. [Beilstein 1 IV 2613.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

補足説明

定義本品は、次の化学式で表される二価アルコールである。

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