2ヒドロキシシクロヘキサノンダイマ-

Cyclohexanone, 2-hydroxy-

HCID 10785

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 30282-14-5
標準SMILES: O=C1CCCCC1O
InChIKey: ODZTXUXIYGJLMC-UHFFFAOYSA-N
分子式: C6H10O2
平均分子量: 114.14 g/mol
単同位体質量: 114.06807956

名称と識別子

優先名称: Cyclohexanone, 2-hydroxy-
IUPAC: 2-hydroxycyclohexan-1-one
現地名: 2ヒドロキシシクロヘキサノンダイマ-
英語名: 2-Hydroxycyclohexanone dimer
分子式: C6H10O2
分子量: 228.28

名称と別名

2-Hydroxycyclohexan-1-one2-HYDROXYCYCLOHEXANONE533-60-8Cyclohexanone, 2-hydroxy-2-Hydroxy-1-cyclohexanoneNSC 298536Cyclohexanone, 2-hydroxy-, dimerEINECS 208-570-4NSC 117392AI3-06549CHEBI:17878DTXSID10883427

名称をさらに表示

2ヒドロキシシクロヘキサノンダイマ-2-ヒドロキシシクロヘキサノンダイマー2-ヒドロキシシクロヘキサノンダイマー, 98%2-ヒドロキシシクロヘキサノン,ダイマーAKOS 924612-HYDROXY-CYCLOHEXANONE2-Hydroxycyclohexanonedimer,98%2-Hydroxycyclohexanone dimer 98%2-HYDROXYCYCLOHEXANONE, DIMER, 90+%2-Hydroxycyclohexanone dimer,Adipoin

2Hydroxy1cyclohexanone2Hydroxycyclohexan1oneCyclohexanone, 2hydroxyRefChem:580725DTXCID601022958208-570-4InChI=1/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4HAdipoin

データベース識別子

CAS: 30282-14-5、533-60-8
PubChem CID: 10785
DTXSID: DTXSID10883427
ChEBI: CHEBI:17878
EC Number: 208-570-4
Nikkaji: J11.716A

物性

構造計算による物性

XLogP: 0.2
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 98

実験および物理化学的性質

Kovats Retention Index · 2 件

955；971

1643

物理化学的性質

融点: 100 · 100-107 °C(lit.)
沸点: 83 · 83-86 °C13 mm Hg(lit.)
闪点: 175 °F · 175 °F
貯蔵温度: 2 · 2-8°C
外見: 粉
色: オフホワイト
水溶解度: 水に部分的に混和する。
InChI: 1S/C12H20O4/c13-11-7-3-1-5-9(11)15-12(14)8-4-2-6-10(12)16-11/h9-10,13-14H,1-8H2
InChIKey: OLLWHBLCQGPTMZ-UHFFFAOYSA-N
SMILES: OC12CCCCC1OC3(O)CCCCC3O2

化学的性質

化学的特性Off-white powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationCyclohexanone, 2-hydroxy-, dimer: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySee 3-Methylcyclohexanone and o-Methylcyclohexanone.

法規制情報

Regulatory InformationCyclohexanone, 2-hydroxy-, dimer: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 9-21
wgk: 3
ridadr: UN 1325 4.1/PG 3
hs_code: 29144090
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36
hazard_class: 4.1
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Sol. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

用途と製造

General Manufacturing InformationCyclohexanone, 2-hydroxy-: ACTIVE

応用分野 · 1 件

使用Reactant involved in:• ;Synthesis of substrated for tin tetrachloride mediated fragmentation to produce ynones and ynoates1• ;Tandem oxidation coupling reactions with diamines2• ;Asymmetric allylic alkylation of enolates3• ;Formate reduction of allylic carbonates for polypropionate systems4