基本情報
- 標準SMILES
CCCCN(CCO)CCCC- InChIKey
IWSZDQRGNFLMJS-UHFFFAOYSA-N- 分子式
- C10H23NO
- 平均分子量
- 173.3 g/mol
- 単同位体質量
- 173.17796436
概要
Dibutylaminoethanol is a colorless liquid with a mild fishlike odor. Flash point 200 °F. Toxic by ingestion and skin absorption. Used to make other chemicals.
名称と識別子
- 優先名称
- 2-(Dibutylamino)ethanol
- IUPAC
- 2-(dibutylamino)ethanol
- 現地名
- 2-(ジブチルアミノ)エタノール
- 英語名
- 2-(Dibutylamino)ethanol
- 分子式
- C10H23NO
- 分子量
- 173.3
名称と別名
名称をさらに表示
データベース識別子
- CAS
102-81-8- PubChem CID
- 7621
- DTXSID
DTXSID2024953- ChEMBL
CHEMBL1447214- UNII
- 3IT10X9MHO
- EC Number
- 203-057-1
- Nikkaji
- J78.150I
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 23.5 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
- 8
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 77.9
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Ethanolamines
Flammable agents - 2nd degree
Density
0.85 (NTP, 1992) - Less dense than water; will float
Relative density (water = 1): 0.9
0.86
0.86
Solubility
less than 1 mg/mL at 64 °F (NTP, 1992)
Solubility in water at 20 °C: poor
0.4%
Flash Point
210 °F (NTP, 1992)
210 °F
90 °C c.c.
195 °F
195 °F
Boiling Point
435 to 450 °F at 760 mmHg (NTP, 1992)
222-232 °C
446 °F
446 °F
Vapor Density
6 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Relative vapor density (air = 1): 6
6
Vapor Pressure
0.1 mmHg (NIOSH, 2024)
0.1 [mmHg]
Vapor pressure, kPa at ? °C: 3.4
0.1 mmHg
0.1 mmHg
Physical Description
Dibutylaminoethanol is a colorless liquid with a mild fishlike odor. Flash point 200 °F. Toxic by ingestion and skin absorption. Used to make other chemicals.
Liquid
Colorless liquid with a faint, amine-like odor; [NIOSH]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Colorless liquid with a faint, amine-like odor.
Colorless liquid with a faint, amine-like odor.
物理化学的性質
- 融点
- -70 °C · -70°C(lit.)
- 沸点
- 229 · 229-230 °C(lit.)
- 比重(密度)
- 0.86 g/mL · 0.86 g/mL at 25 °C(lit.)
- 蒸気密度
- 6 · 6 (vs air)
- 蒸気圧
- 5 Pa · 5Pa at 20℃
- 屈折率
- 20 · n20/D 1.444(lit.)
- 闪点
- 197 °F · 197 °F
- 溶解性
- Practically insoluble in water
- 酸解離定数(Pka)
- 14.77 · 14.77±0.10(Predicted)
- 外見
- 無色の液体
- 色
- Colorless to Light orange to Yellow
- 水溶解度
- 4 g/L · 4g/L at 20℃
- BRN
- 1738441 · 1738441
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- バッファリング
- InChI
- 1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3
- InChIKey
- IWSZDQRGNFLMJS-UHFFFAOYSA-N
- SMILES
- CCCCN(CCO)CCCC
- LogP
- 1.86 at · 1.86 at 20℃
- CAS データベース
- 102 · 102-81-8(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-(Dibutylamino)ethanol (102-81-8)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 273 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H227: Combustible liquid [Warning Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: Ethanol, 2-(dibutylamino)-
Ethanol, 2-(dibutylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(dibutylamino)- 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: 17-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5336
2-N-Dibutylaminoethanol: 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.)
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 90 °C explosive vapour/air mixtures may be formed.
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.
Hazards Summary
In animals: irritation of eyes, skin, and nose; corneal necrosis; weight loss; [NIOSH] Molten substance may cause severe burns; [CAMEO] May be corrosive to skin and eyes based on animal results; [CHEMINFO] DBAE is an irritant of the nose and eyes. Animal studies show that DBAE inhibits acetylcholinesterase. The median lethal dose in rats dying of respiratory arrest is 89.1 mg/kg. Five rats with inhalation exposures of 33 ppm 6 hours a day for 5 days had no mortality. [ACGIH]
DOT ID and Guide
2873 153
2873 153
Reactivity Profile
DIBUTYLAMINOETHANOL is an aminoalcohol. 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
Fire Fighting
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Use water spray, alcohol-resistant foam, dry powder, carbon dioxide.
First Aid Measures
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
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.
General First Aid:
(General first aid procedures)
Spillage Disposal
Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
毒性情報
Exposure Routes
The substance can be absorbed into the body by inhalation, through the skin and by ingestion.
inhalation, skin absorption, ingestion, skin and/or eye contact
Signs and Symptoms
Cough. Sore throat. Nausea. Convulsions. Dizziness. Laboured breathing. Pupillary constriction, muscle cramp, excessive salivation. Sweating. Unconsciousness.
MAY BE ABSORBED! Skin burns. Pain. Redness. See Inhalation.
Pain. Redness. Severe deep burns.
Abdominal pain. Burning sensation. Shock or collapse. Abdominal cramps. Diarrhoea. Vomiting. See Inhalation.
In Animals: irritation eyes, skin, nose; dermatitis; skin, corneal necrosis; weight loss
安全データ
- OEB
- A
- OEL
- TWA: 2 ppm (14 mg/m3) [skin]
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- KK3850000
- ridadr
- UN 2873
- hs_code
- 2922.19.9690
- risk_code
- 21/22-34
- 化審法
- (2)-353
- 安衛法
- 57,57-2
- 消防法
- 危-4-3-III
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- packing_group
- III
- 環境リスク評価
- 2-(ジ-n-ブチルアミノ)エタノール(102-81-8)
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1CSTOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
Uses
Used as a curing agent for polyurethane foams and silicone resins; a conditioner for cellulose acetate filaments; a corrosion inhibitor in lubricants and hydraulic fluids; and in the synthesis of other organic compounds; [ACGIH]
Textiles (Fiber & Fabric Manufacturing) [Category: Industry]
General Manufacturing Information
Fabricated Metal Product Manufacturing
Ethanol, 2-(dibutylamino)-: ACTIVE
応用分野
用途ウレタンの触媒、繊維助剤、乳化剤
使用2-(Dibutylamino)ethanol (DBAE) may be used as a coreactant to enhance the electrochemiluminescence (ECL) of tris(2,2′-bipyridyl)ruthenium(II) [Ru(bpy)32+], employed in the ECL immunoassays and DNA probe assays. DBAE may also be used as a catalyst during the synthesis of protected D-erythro-(2S,3R)-sphingosine.
一般的な説明2-(DIBUTYLAMINO)ETHANOL is a colorless liquid with a mild fishlike odor. Flash point 200°F. Toxic by ingestion and skin absorption. Used to make other chemicals.
上流・下流製品情報
上流原料
サプライヤー50 社
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