1,2-デカンジオール

1,2-Decanediol

HCID 79141CAS 1119-86-4
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCCCCCC(O)CO
InChIKey
YSRSBDQINUMTIF-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

Decane-1,2-diol is a glycol that is decane bearing two hydroxy substituents located at positions 1 and 2. It has a role as an antioxidant, an anti-inflammatory agent and a human metabolite. It is a volatile organic compound and a glycol. It derives from a hydride of a decane.

名称と識別子

優先名称
1,2-Decanediol
IUPAC
decane-1,2-diol
現地名
1,2-デカンジオール
英語名
1,2-Decanediol
分子式
C10H22O2
分子量
174.28

名称と別名

1,2-Decanediol1119-86-4Decane-1,2-diolDecylene glycol1,2-DihydroxydecaneSYMCLARIOLS57M60MI88NSC-28662SYMCLARIOL 344028CHEBI:143858DTXSID601009388RefChem:71770
名称をさらに表示
1,2-デカンジオールデカン-1,2-ジオール1-オクチル-1,2-エタンジオール1,2-デカンジオル1,2-デカンジオ-ル1,2-ジヒドロキシデカンデシレングリコール1-オクチルエタン-1,2-ジオールAI3-165952-Decanediol1，2-decyldiolDecan-1,2-diol1,2-Decandiol, 98%1,2-Decanediol >1,2-Decanediol 98%1,2-Decanediol,98%
DTXCID50894976214-288-2MFCD000107391,2-DECYLENE GLYCOLUNII-S57M60MI88decane 1,2-diolNSC28662EINECS 214-288-2

データベース識別子

CAS
1119-86-4
PubChem CID
79141
DTXSID
DTXSID601009388
ChEBI
CHEBI:143858
UNII
S57M60MI88
EC Number
214-288-2
Nikkaji
J80.156I

物性

構造計算による物性

XLogP
2.9
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
8
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 (Decylene Glycol) -> CIR (Cosmetic Ingredient Review)
Physical DescriptionHygroscopic solid; [Acros Organics MSDS]

物理化学的性質

融点
48 · 48-50 °C (lit.)
沸点
255 °C · 255 °C (lit.)
比重(密度)
0.9418 · 0.9418 (rough estimate)
蒸気圧
0.004 Pa · 0.004Pa at 20℃
屈折率
1.4561 · 1.4561 (estimate)
闪点
113 °C · 113 °C

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.4% (3 of 125) of reports.

Danger

H318 (96.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 125 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,2-Decanediol

Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17615

1,2-Decanediol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 1-Decanol.
Hazard Classes and CategoriesEye Dam. 1 (96.8%)

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
2
hs_code
29053995
化審法
(2)-240
safety_code
24/25
Hazard Classifications
Skin Irrit. 2
ストレージクラス
11 - Combustible Solids

化学と産業

用途と製造

UsesCIR ingredient: Decylene Glycol
Household ProductsInformation on 5 consumer products that contain Decylene Glycol in the following categories is provided:
応用分野 · 1 件

使用1,2-Decanediol is a 1,2-alkanediol that is used as an antimicrobial agent in cosmetics. It also suppresses the fluidity of the hydrophilic and hydrophobic groups in the phospholipid membrane of liposomes. Preparation of 1-decene by deoxygenation of 1,2-decanediol with formic acid. It is used to Synthesis of EDOT-C8.

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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
補足説明 · 2 件

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。

定義ChEBI: 1,2-Decanediol is a glycol that is decane bearing two hydroxy substituents located at positions 1 and 2. It has a role as an anti-inflammatory agent, an antioxidant and a human metabolite. It is a glycol and a volatile organic compound. It derives from a hydride of a decane.

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