2-エチル-2-メチル-1,3-ジオキソラン

2-Ethyl-2-methyl-1,3-dioxolane

HCID 61067
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基本情報

CAS
126-39-6
標準SMILES
CCC1(C)OCCO1
InChIKey
UPZFLZYXYGBAPL-UHFFFAOYSA-N
分子式
C6H12O2
平均分子量
116.16 g/mol
単同位体質量
116.08372962

名称と識別子

優先名称
2-Ethyl-2-methyl-1,3-dioxolane
IUPAC
2-ethyl-2-methyl-1,3-dioxolane
現地名
2-エチル-2-メチル-1,3-ジオキソラン
英語名
2-ETHYL-2-METHYL-1,3-DIOXOLANE
分子式
C6H12O2
分子量
116.16

名称と別名

2-Ethyl-2-methyl-1,3-dioxolane2-Methyl-2-ethyl-1,3-dioxolaneEthyleneacetic acid1,3-DIOXOLANE, 2-ETHYL-2-METHYL-NSC 829UNII-Y488VJJ1FVEINECS 204-785-2Y488VJJ1FVBRN 0102815AI3-25310NSC-829DTXSID7059565
名称をさらに表示
2-エチル-2-メチル-1,3-ジオキソラン2-メチル-2-エチル-1,3-ジオキソラン2-ブタノンエチレンアセタール2‐エチル‐2‐メチル‐1,3‐ジオキソランEthyleneacetic acid.2-Methyl-2-ethyldioxolane2-Ethyl-2-methyldioxolane2-BUTANONE ETHYLENE ACETAL2-ethyl-2-methyl-3-dioxolane(1,3-Dioxolan-2-yl)acetonitrile2-BUTANONE CYCLIC ETHYLENE ACETAL
UPZFLZYXYGBAPL-UHFFFAOYSA-2-BUTANONE ETHYLENE KETAL5-19-01-00083 (Beilstein Handbook Reference)RefChem:86871DTXCID1033876InChI=1/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3UPZFLZYXYGBAPL-UHFFFAOYSA-N126-39-6

データベース識別子

CAS
126-39-6
PubChem CID
61067
DTXSID
DTXSID7059565
UNII
Y488VJJ1FV
EC Number
204-785-2
Nikkaji
J42.130H

物性

構造計算による物性

XLogP
1
極性表面積
18.5 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
8

実験および物理化学的性質

Kovats Retention Index766；779；768

物理化学的性質

融点
-81.9 °C · -81.9°C
沸点
116 · 116-117 °C (lit.)
比重(密度)
0.929 g/mL · 0.929 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.409(lit.)
闪点
55 °F · 55 °F
貯蔵温度
Refrigerator

化学的性質

化学的特性Clear colourless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1,3-Dioxolane, 2-ethyl-2-methyl-

Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21083

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (97.7%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (93%)；STOT SE 3 (97.7%)

法規制情報

Regulatory Information · 2 件

Chemical: 1,3-Dioxolane, 2-ethyl-2-methyl-

Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21083

安全データ

wgk
3
tsca
TSCA listed
rtecs
JH7700000
ridadr
UN 1993 3/PG 2
毒性
rabbit,LD50,skin,10mL/kg (10mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
hs_code
29329990

化学と産業

用途と製造

General Manufacturing Information1,3-Dioxolane, 2-ethyl-2-methyl-: ACTIVE
応用分野 · 1 件

使用2-Ethyl-2-methyl-1,3-dioxolane was employed as reagent in the selective ketalization of 1-oxo functions of 8a-methyl 1,6-dioxo 1,2,3,4,6,7,8,8a-octahydronaphthalene and 7a-methyl 1,5-dioxo 5,6,7,7a-tetrahydroindane. It was also employed in the enantioselective total synthesis of (-)-strychnine.

上流・下流製品情報

サプライヤー63 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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