基本情報
- 標準SMILES
CCOCCCO- InChIKey
XHMWPVBQGARKQM-UHFFFAOYSA-N- 分子式
- C5H12O2
- 平均分子量
- 104.15 g/mol
- 単同位体質量
- 104.08372962
概要
3-ethoxy-1-propanol appears as a clear colorless liquid, with a mild odor. Less dense than water. Contact may slightly irritate skin, eyes and mucous membranes.
名称と識別子
- 優先名称
- 3-Ethoxy-1-propanol
- IUPAC
- 3-ethoxypropan-1-ol
- 現地名
- 3-エトキシプロピルアルコール
- 英語名
- 3-Ethoxy-1-propanol
- 分子式
- C5H12O2
- 分子量
- 104.15
名称と別名
名称をさらに表示
データベース識別子
- CAS
111-35-3- PubChem CID
- 8109
- DTXSID
DTXSID4073124- ChEBI
CHEBI:87489- UNII
- 28V3RKF4Z1
- EC Number
- 203-861-2
- Nikkaji
- J35.196B
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 29.3
実験および物理化学的性質
物理化学的性質
- 融点
- -90 °C · -90°C (estimate)
- 沸点
- 160 · 160-161 °C(lit.)
- 比重(密度)
- 0.904 g/mL · 0.904 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.417(lit.)
- 闪点
- 130 °F · 130 °F
- 貯蔵温度
- 2 · Storage temp. 2-8°C
- 外見
- liquid
- 酸解離定数(Pka)
- 14.9 · 14.90±0.10(Predicted)
- 比重
- 0.904 · 0.904
- 臭い (Odor)
- フルーツ
- 水溶解度
- 10 g/100 · >= 10 g/100 mL で 18 º
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- 1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
- InChIKey
- XHMWPVBQGARKQM-UHFFFAOYSA-N
- SMILES
- CCOCCCO
- CAS データベース
- 111 · 111-35-3(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Propanol, 3-ethoxy-(111-35-3)
- EPAの化学物質情報
- 3 · 3-Ethoxy-1-propanol (111-35-3)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Reactivity Profile
3-ETHOXY-1-PROPANOL is an ethoxy-alcohol derivative. The ether is relatively unreactive. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert alcohols to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
安全データ
- wgk
- 3
- rtecs
- UB5075000
- ridadr
- UN 1987 3/PG 3
- hs_code
- 2909498090
- risk_code
- 10-20/21/22-36
- hazard_code
- Xn
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.2
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
応用分野
用途有機合成原料。
一般的な説明A clear colorless liquid, with a mild odor. Less dense than water. Contact may slightly irritate skin, eyes and mucous membranes.
上流・下流製品情報
下流製品
サプライヤー50 社
補足説明
定義ChEBI: A hydroxyether that is propan-1-ol substituted by an ethoxy group at position 3.
関連反応
関連ノート
読み込み中…