基本情報
- CAS
82941-26-2- 標準SMILES
CCCCOCCOCC(=O)O- InChIKey
MCORDGVZLPBVJB-UHFFFAOYSA-N- 分子式
- C8H16O4
- 平均分子量
- 176.21 g/mol
- 単同位体質量
- 176.10485899
名称と識別子
- 優先名称
- 2-(2-Butoxyethoxy)acetic acid
- IUPAC
- 2-(2-butoxyethoxy)acetic acid
- 現地名
- (2-n-ブトキシエトキシ)酢酸
- 英語名
- (2-n-Butoxyethoxy)acetic acid
- 分子式
- C8H16O4
- 分子量
- 176.21
名称と別名
名称をさらに表示
データベース識別子
- CAS
82941-26-2- PubChem CID
- 106312
- DTXSID
DTXSID601003011- ChEBI
CHEBI:232969- EC Number
- 451-650-0、679-845-8
- Nikkaji
- J3.654.969F
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 55.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 114
実験および物理化学的性質
物理化学的性質
- 沸点
- 141 °C · 141 °C / 5mmHg
- 比重(密度)
- 1.05 · 1.05
- 屈折率
- 1.436 to · 1.4360 to 1.4400
- 貯蔵温度
- Refrigerator, under inert atmosphere
- 溶解性
- クロロホルム(微量)、メタノール(微量)
- 外見
- 油
- 酸解離定数(Pka)
- 3.4 · 3.40±0.10(Predicted)
- 色
- 無色
- InChI
- 1S/C8H16O4/c1-2-3-4-11-5-6-12-7-8(9)10/h2-7H2,1H3,(H,9,10)
- InChIKey
- MCORDGVZLPBVJB-UHFFFAOYSA-N
- SMILES
- CCCCOCCOCC(O)=O
安全と法規制
GHS分類
GHS Classification
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
Acetic acid, 2-(2-butoxyethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-(2-butoxyethoxy)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 10-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2597
Hazard Classes and Categories
Skin Corr. 1B (100%);Eye Dam. 1 (100%)
Skin Irrit. 2 (50%);Eye Dam. 1 (50%);Eye Irrit. 2 (50%)
法規制情報
Regulatory Information
Acetic acid, 2-(2-butoxyethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-(2-butoxyethoxy)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 10-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2597
安全データ
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2918.19.9000
- 消防法
- 危-4-3-III
- Hazard Classifications
- Eye Dam. 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing Information
Primary Metal Manufacturing
Acetic acid, 2-(2-butoxyethoxy)-: ACTIVE
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