基本情報
- CAS
22527-63-5- 標準SMILES
CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1)C(C)C- InChIKey
FFSJSGNXYKUSCQ-UHFFFAOYSA-N- 分子式
- C19H28O4
- 平均分子量
- 320.4 g/mol
- 単同位体質量
- 320.19875937
名称と識別子
- 優先名称
- 3-(Benzoyloxy)-2,2,4-trimethylpentyl isobutyrate
- IUPAC
- [2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzoate
- 現地名
- 2,2,4-トリメチル-1,3-ペンタンジイル1-イソブチラート3-ベンゾアート
- 英語名
- 3-benzoyloxy-2,2,4-trimethylpentyl isobutyrate
- 分子式
- C19H28O4
- 分子量
- 320.42322
名称と別名
22527-63-53-Benzoyloxy-2,2,4-trimethylpentyl isobutyrate3-(Benzoyloxy)-2,2,4-trimethylpentyl isobutyrateEINECS 245-054-8EINECS 252-412-754X8O3GFQQ2,2,4-Trimethyl-1,3-pentanediol benzoate isobutyratePropanoic acid, 2-methyl-, 3-(benzoyloxy)-2,2,4-trimethylpentyl esterIsobutyric acid, 3-hydroxy-2,2,4-trimethylpentyl ester benzoate2,2,4-Trimethyl-1,3-pentanediol monobenzoate isobutyrateIsobutyric acid, ester with 2,2,4-trimethylpentane-1,3-diol benzoate35164-39-7
名称をさらに表示
2,2,4-トリメチル-1,3-ペンタンジイル1-イソブチラート3-ベンゾアート2,2,4-トリメチルペンタン-1,3-ジイル1-イソブチラート3-ベンゾアート3-(ベンゾイルオキシ)-2,2,4-トリメチルペンチル 2-メチルプロパノアート2,2,4-Trimethyl-1,3-pentanediyl1-isobutyrate 3-benzoate2,2,4-Trimethylpentane-1,3-diyl 1-isobutyrate 3-benzoate
Propanoic acid, 2-methyl-, ester with 2,2,4-trimethyl-1,3-pentanediol monobenzoateRefChem:494242DTXSID101074542245-054-8252-412-7[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzoateUNII-54X8O3GFQQSCHEMBL157372
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 52.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 392
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- EPAの化学物質情報
- 3 · 3-(Benzoyloxy)-2,2,4-trimethylpentyl isobutyrate (22527-63-5)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
危険有害性情報
Regulatory Information
Propanoic acid, 2-methyl-, 3-(benzoyloxy)-2,2,4-trimethylpentyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-methyl-, 3-(benzoyloxy)-2,2,4-trimethylpentyl ester 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)
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
Propanoic acid, 2-methyl-, 3-(benzoyloxy)-2,2,4-trimethylpentyl ester: 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.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanoic acid, 2-methyl-, 3-(benzoyloxy)-2,2,4-trimethylpentyl ester: ACTIVE
Propanoic acid, 2-methyl-, ester with 2,2,4-trimethyl-1,3-pentanediol monobenzoate: INACTIVE
サプライヤー2 社
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
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