基本情報
- CAS
13552-21-1- 標準SMILES
CCC(O)CN- InChIKey
KODLUXHSIZOKTG-UHFFFAOYSA-N- 分子式
- C4H11NO
- 平均分子量
- 89.14 g/mol
- 単同位体質量
- 89.08406397
名称と識別子
- 優先名称
- 1-Amino-2-butanol
- IUPAC
- 1-aminobutan-2-ol
- 現地名
- 1-アミノ-2-ブタノール
- 英語名
- 1-Amino-2-butanol
- 分子式
- C4H11NO
- 分子量
- 89.14
名称と別名
名称をさらに表示
データベース識別子
- CAS
13552-21-1- PubChem CID
- 26107
- DTXSID
DTXSID8025676- UNII
- 19453GN3YQ
- EC Number
- 670-502-8
- Nikkaji
- J81.643D
物性
構造計算による物性
- XLogP
- -0.4
- 極性表面積
- 46.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 30
実験および物理化学的性質
物理化学的性質
- 融点
- 3 °C · 3°C
- 沸点
- 169 °C · 169 °C
- 比重(密度)
- 0.94 · 0.94
- 屈折率
- 1.449 · 1.4490-1.4520
- 貯蔵温度
- 2 · 2-8°C, protect from light
- 水溶解度
- Soluble in water
- 外見
- clear liquid
- 酸解離定数(Pka)
- 12.92 · 12.92±0.35(Predicted)
- 比重
- 0.94 · 0.94
- 色
- Colorless to Almost colorless
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- 1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3
- InChIKey
- KODLUXHSIZOKTG-UHFFFAOYSA-N
- SMILES
- CCC(O)CN
- CAS データベース
- 13552 · 13552-21-1(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Amino-2-butanol (13552-21-1)
化学的性質
化学的特性colourless or slightly yellow liquid
安全と法規制
GHS分類
GHS Classification
Danger
H314 (95.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.;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
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
Reactivity Profile
1-AMINO-2-BUTANOL is an organic compound with both amine and alcohol substituents. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, 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 strong 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.;STORAGE PRECAUTIONS: You should keep this material in a tightly-closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)
MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.;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. Splash proof safety goggles should be worn while handling this chemical. Alternatively, a full face respirator, equipped as above, may be used to provide simultaneous eye and respiratory protection. (NTP, 1992)
法規制情報
安全データ
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 2735
- hs_code
- 2905599890
- risk_code
- 34-41-37/38-22
- 消防法
- 危-4-3-III
- hazard_code
- C,F,Xn
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-39
- hazard_class
- HYGROSCOPIC, FLAMMABLE, CORROSIVE
- packing_group
- II
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
用途有機合成原料。
一般的な説明Slightly yellow liquid.
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