化工社化工社 化学情報印刷レポート · 研究参考用
2-sec-ブチルフェノル
2-sec-ブチルフェノル · 2-(1-メチルプロピル)フェノール · オルト-セカンダリ-ブチルフェノール · o-sec-ブチルフェノール · 2-(sec-ブチル)フェノール · 2-sec-ブチルフェノール · ｏ－ｓ－ブチルフェノール · osecブチルフェノ-ル
識別子と物理属性
| CAS No. | 53466-96-9 |
|---|---|
| 分子式 | C10H14O |
| 平均分子量 | 150.22 g/mol |
| 単同位体質量 | 150.10446507 g/mol |
| SMILES | CCC(C)c1ccccc1O |
| InChIKey | NGFPWHGISWUQOI-UHFFFAOYSA-N |
| PubChem CID | 6984 |
| ChEMBL | CHEMBL30193 |
| ChEBI | CHEBI:34303 |
| EC No. | 201-933-8 |
| DTXSID | DTXSID2022331 |
| 現地名 | 2-sec-ブチルフェノル |
化学・物理的性質
| XLogP | 3.4 |
|---|---|
| 極性表面積 | 20.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 111 |
| 物質分類 | Other Classes -> PhenolsCorrosives |
| 香料 | Fragrance Ingredient (Phenol, 2-(1-methylpropyl)-) -> IFRA transparency List |
| LogP（分配係数） | log Kow = 3.27 |
| 密度 | 0.981 at 77 °F (NTP, 1992) - Less dense than waterwill float0.9804 kg/l @ 25 °CRelative density (water = 1): 0.980.890.982 g/mL at 25 °C(lit.) |
| Color/Form | LIQUIDAmber-colored liquidColorless liquid or solid (below 61 degrees F). |
| 溶解度 | less than 1 mg/mL at 68 °F (NTP, 1992)INSOL IN WATERSOL IN ALCOHOL, ETHER & ALKALIESInsoluble in water, slightly soluble in alcohol, ether, and alkalies.Solubility in water: none不溶。 <0.1 g/100 mL で 20 ºC |
| 引火点 | 234 °F (NTP, 1992)107 °C225 °F |
| 沸点 | 439 to 442 °F at 760 mmHg (NTP, 1992)224-237 °C439-442 °F227 °F226-228 °C(lit.) |
| 融点 | 54 °F (NTP, 1992)14 °C57 °F61 °F12 °C(lit.) |
| 蒸気密度 | Relative vapor density (air = 1): 5.2 |
| 蒸気圧 | Low (NIOSH, 2024)0.05 [mmHg]Vapor pressure, Pa at 20 °C: 100.03 mm Hg ( 20 °C) |
| 屈折率 | Index of refraction = 1.5182 @ 21 °Cn20/D 1.522(lit.) |
| 貯蔵条件 | RT, stored under nitrogen |
| pKa（酸解離定数） | 10.36±0.35(Predicted) |
| 外観・状態 | 液体 |
| 色 | White to Light yellow |
| BRN | 1210026 |
| ヘンリー定数 | 4.7×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 安定していますが、空気に敏感です。酸塩化物、酸無水物、アルカリ、強力な酸化剤、銅およびその合金、真鍮とは相容れない。 |
| InChI | 1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3 |
| InChIKey | NGFPWHGISWUQOI-UHFFFAOYSA-N |
| SMILES | CCC(C)c1ccccc1O |
| LogP（分配係数） | 3 at 20℃ |
| CAS データベース | 89-72-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Phenol, 2-(1-methylpropyl)-(89-72-5) |
| EPAの化学物質情報 | o-sec-Butylphenol (89-72-5) |
化学的特性
colourless to light yellow liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1.2% (4 of 338) of reports.DangerH302 (87.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 338 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Phenol, 2-(1-methylpropyl)-Phenol, 2-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(1-methylpropyl)- 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: 17-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12476Phenol, 2-(1-methylpropyl)-: 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.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | Evaluation - Propyl and butyl phenols |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | This chemical is combustible. (NTP, 1992) |
| 健康有害性 | Excerpt from NIOSH Pocket Guide for o-sec-Butylphenol: |
| 有害性の概要 | May cause skin burns[NIOSH] An irritant that may cause skin burns[CAMEO] In animal studies, skin exposure for 24 hours causes severe skin irritation. [CHEMINFO] |
| 反応性グループ | Phenols and Cresols |
| UN 分類 | UN Hazard Class: 8UN Pack Group: III |
| TSCA 要件 | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329. |
用途
用途
合成樹脂変性(改質)剤、有機合成原料。
用途
ニトロセルロース,アセチルセルロース,天然および、合成樹脂,アルコール可溶染料の溶媒,防湿セロハンの接着,速乾ワニス,エナメル,つめみがきに使用.鉄, 硫酸根,二硫化炭素の定量用試薬, KAR1 FISCHER試薬.
使用
Chemical intermediate in preparation of resins, plasticizers, surface-active agents.
一般的な説明
Clear colorless liquid.