CAS 5444-75-7 2-Ethylhexyl benzoate (HCID 94310)

名称と識別子

優先名称: 2-Ethylhexyl benzoate
IUPAC: 2-ethylhexyl benzoate
現地名: 安息香酸 2-エチルヘキシル
英語名: Benzoic acid 2-ethylhexyl ester
分子式: C15H22O2
分子量: 234.33

名称と別名

2-Ethylhexyl benzoateEthylhexyl benzoateBenzoic acid, 2-ethylhexyl ester2-Ethyl-1-hexanol benzoateDTXSID4041654UNII-R63ZWW1A13R63ZWW1A13FINSOLV EBEINECS 226-641-8NSC 19155NSC-19155HI-ESTER B 508

名称をさらに表示

安息香酸 2-エチルヘキシル安息香酸2-エチルヘキシル2－エチルヘキシルベンゾエ-ト2-エチルヘキシルベンゾエート安息香酸エチルヘキシル安息香酸2-エチルヘキシルエステルVelate 368t-5-DECEN-1-CYNETRANS-5-DECEN-1-YNEBENZOIC ACID 2-ETHYLHEXY2-Ethylhexyl Benzoate >

DTXCID2021654FEMA NO. 4630EC 226-641-81-HEXANOL, 2-ETHYL-, BENZOATERefChem:86979ETHYLHEXYL BENZOATE [INCI]226-641-8UADWUILHKRXHMM-UHFFFAOYSA-N

データベース識別子

CAS: 5444-75-7
PubChem CID: 94310
DTXSID: DTXSID4041654
ChEMBL: CHEMBL3184685
UNII: R63ZWW1A13
EC Number: 226-641-8
Nikkaji: J210.483K

物性

構造計算による物性

XLogP: 4.5
極性表面積: 26.3 Å²
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: 8
重原子数: 17
形式電荷: 0
複雑度: 207

実験および物理化学的性質

Density0.963-0.973 (20 °C)

Solubility · 2 件

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point120-121 °C (3 mm Hg)

Refractive Index1.487-1.497

Physical Description · 2 件

Liquid

Colourless clear oily liquid; Ethereal aroma

Kovats Retention Index · 3 件

1674

1735

2598

物理化学的性質

沸点: 170 °C · 170 °C / 20mmHg
比重(密度): 0 · 0,97 g/cm3
蒸気圧: 37 Pa · 37Pa at 20℃
FEMA: 4630 · 4630 | 2-ETHYLHEXYL BENZOATE
屈折率: 1.489 · 1.4890-1.4930
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
比重: 0.97 · 0.97
色: Colorless to Almost colorless
臭い (Odor): 100 %で。優しい、エレガントな · 100.00%で。優しい、エレガントな
においのタイプ: エーテル的な
水溶解度: 400 μg/L · 400μg/L at 20℃
JECFA Number: 2068 · 2068
安定性: 強力な酸化剤とは相容れない。可燃性。
化粧品成分の機能: 溶媒皮膚コンディショニング剤 - 保湿剤スキンコンディショニング
InChI: 1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKey: UADWUILHKRXHMM-UHFFFAOYSA-N
SMILES: CCCCC(CC)COC(=O)c1ccccc1
LogP: 6.21 at · 6.21 at 20℃
EPAの化学物質情報: 2 · Benzoic acid, 2-ethylhexyl ester (5444-75-7)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 21.8% (49 of 225) of reports.

Danger

H360 (13.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H360F (46.2%): May damage fertility [Danger Reproductive toxicity]；H413 (18.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 225 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 49 of 225 reports by companies.；There are 5 notifications provided by 176 of 225 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 · 3 件

Benzoic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-ethylhexyl 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)

Status: No longer Valid Update: 09-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11596

Benzoic acid, 2-ethylhexyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesRepr. 1B (13.3%)；Repr. 1B (46.2%)；Aquatic Chronic 4 (18.7%)

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

法規制情報

Regulatory Information · 3 件

Benzoic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-ethylhexyl 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)

Status: No longer Valid Update: 09-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11596

Benzoic acid, 2-ethylhexyl ester: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: WGK 3
tsca: TSCA listed
hs_code: 2916.31.5000
risk_code: 36/37/38
化審法: (3)-1356, (7)-705
消防法: 危-4-3-III
safety_code: 26-36/37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesCIR ingredient: Ethylhexyl Benzoate

U.S. Production2023: 700,000 - <850,000 lb；2022: 5,500,000 - <7,000,000 lb；2021: 5,500,000 - <7,000,000 lb；2020: 5,500,000 - <7,000,000 lb

Consumer UsesPlasticizer；Diluent

Industry UsesPlasticizer；Surfactant (surface active agent)；Processing aids not otherwise specified

Household ProductsInformation on 125 consumer products that contain 2-Ethylhexyl benzoate in the following categories is provided:；• Home Maintenance；• Inside the Home

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Cosmetics -> Skin conditioning; Emollient; Solvent

応用分野

用途有機合成原料。

サプライヤー100 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]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

補足説明

定義本品は、安息香酸(*)と2-エチルヘキシルアルコールとのエステルであり、次の化学式で表される。参照表示名称：安息香酸

化合物ノート

読み込み中…

安息香酸 2-エチルヘキシル

基本情報