2,2-ビス(アリルオキシメチル)-1-ブタノール (モノ-, トリ-置換体含む)

Trimethylolpropane diallyl ether

HCID 61196CAS 682-09-7

基本情報

標準SMILES
C=CCOCC(CC)(CO)COCC=C
InChIKey
BDKDHWOPFRTWPP-UHFFFAOYSA-N
分子式
C12H22O3
平均分子量
214.3 g/mol
単同位体質量
214.15689456

名称と識別子

優先名称
Trimethylolpropane diallyl ether
IUPAC
2,2-bis(prop-2-enoxymethyl)butan-1-ol
現地名
2,2-ビス(アリルオキシメチル)-1-ブタノール (モノ-, トリ-置換体含む)
英語名
Trimethylolpropane diallyl ether
分子式
C12H22O3
分子量
214.3

名称と別名

Trimethylolpropane diallyl ether682-09-72,2-Bis(allyloxymethyl)butan-1-ol2,2-bis[(prop-2-en-1-yloxy)methyl]butan-1-olDTXSID70449762,2-Bis((2-propenyloxy)methyl)-1-butanolEINECS 211-661-1UNII-Q58WDK0444BRN 1934010AI3-26934Q58WDK04441-Butanol, 2,2-di((2-propenyloxy)methyl)-
名称をさらに表示
2,2-ビス(アリルオキシメチル)-1-ブタノール (モノ-, トリ-置換体含む)トリメチロールプロパンジアリルエーテル2,2-ビス[(アリルオキシ)メチル]-1-ブタノール2,2-ビス(2-プロペニルオキシメチル)-1-ブタノール2,2-ビス(アリルオキシメチル)-1-ブタノール2,2-ビス[(2-プロペニル)オキシメチル]-1-ブタノールトリメチロ-ルプロパンジアリルエ-テルトリメチロールプロパンアリルエーテル2,2-ビス(アリルオキシメチル)ブタン-1-オール2,2-ビス[(プロパ-2-エン-1-イルオキシ)メチル]ブタン-1-オールTMPDE2,2-BTMPDE80TMPDE90rimethylolpropane diallyl ether2,2-BIS(ALLYLOXYMETHYL)-1-BUTANOLTriMethylolpropane diallyl ether 90%2,2-bis(prop-2-enoxymethyl)butan-1-ol
NEOALLYL T 201-Butanol, 2,2-bis((2-propen-1-yloxy)methyl)-TMPDE 80DTXCID5024976EC 211-661-1DIALLYL TRIMETHYLOLPROPANE ETHER1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, diallyl ether2,2-BIS((PROP-2-EN-1-YLOXY)METHYL)BUTAN-1-OL

データベース識別子

CAS
682-09-7
PubChem CID
61196
DTXSID
DTXSID7044976
ChEMBL
CHEMBL3184580
UNII
Q58WDK0444
EC Number
211-661-1
Nikkaji
J53.875B

物性

構造計算による物性

XLogP
1.5
極性表面積
38.7 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
10
重原子数
15

実験および物理化学的性質

Physical DescriptionCBI
Collision Cross Section150.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044976]

物理化学的性質

沸点
135 °C/13 · 135 °C/13 mmHg (lit.)
比重(密度)
0.955 g/mL · 0.955 g/mL at 25 °C (lit.)
蒸気圧
0.17 · 0.17-0.23Pa at 25℃
屈折率
20 · n20/D 1.458(lit.)
闪点
230 °F · >230 °F
水溶解度
Practically insoluble in water

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 25.8% (171 of 663) of reports.

Warning

H315 (74.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (74.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (74.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 663 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 171 of 663 reports by companies.;There are 5 notifications provided by 492 of 663 reports by companies with hazard statement code(s).;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 · 4 件

Chemical: 1-Butanol, 2,2-bis[(2-propenyloxy)methyl]-

1-Butanol, 2,2-bis[(2-propen-1-yloxy)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 2,2-bis[(2-propen-1-yloxy)methyl]- 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: 17-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/1894

1-Butanol, 2,2-bis(2-propenyloxy)methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

EPA Safer ChemicalChemical: Trimethylopropane diallyl ether; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Hazard Classes and CategoriesSkin Irrit. 2 (74.2%);Eye Irrit. 2 (74.2%);STOT SE 3 (74.1%)

法規制情報

Regulatory Information · 4 件

Chemical: 1-Butanol, 2,2-bis[(2-propenyloxy)methyl]-

1-Butanol, 2,2-bis[(2-propen-1-yloxy)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 2,2-bis[(2-propen-1-yloxy)methyl]- 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: 17-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/1894

1-Butanol, 2,2-bis(2-propenyloxy)methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
2
tsca
TSCA listed
rtecs
TY6667000
hs_code
29094990
risk_code
36/37/38
化審法
(2)-427

化学と産業

用途と製造

U.S. Production2023: 50,000 - <250,000 lb;2022: 50,000 - <250,000 lb;2021: 50,000 - <250,000 lb;2020: <50,000 lb
Industry UsesIntermediate
Use Classification · 2 件

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

1-Butanol, 2,2-bis[(2-propen-1-yloxy)methyl]-: ACTIVE

応用分野 · 2 件

使用TMPAE can be used in the synthesis of isophorone diisocyanate (IPDI) based tetracene monomers which can further be used in the formation of polymer dispersed liquid crystals. It can also be used in the synthesis of allyl ether based dendrimers that find potential usage in coatings.

一般的な説明Trimethylolpropane diallyl ether (TMPAE) is an unsaturated allyl ether that can be synthesized by Williamson esterification reaction in the presence of trimethylolpropane, sodium hydroxide, and allyl chloride as starting materials.

上流・下流製品情報

サプライヤー50 社

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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

関連反応

4 件

関連ノート

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