Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
옥틸아민
옥틸아민 · n-옥틸아민 · N-OCTYLAMINE · 1-OCTANAMINE · AMINE C8 · Octanamine · 1-OCTYLAMINE · Octylamin
식별자 및 물리적 특성
| CAS No. | 111-86-4 |
|---|---|
| 분자식 | C8H19N |
| 평균 분자량 | 129.24 g/mol |
| 단동위원소 질량 | 129.15174961 g/mol |
| SMILES | CCCCCCCCN |
| InChIKey | IOQPZZOEVPZRBK-UHFFFAOYSA-N |
| PubChem CID | 8143 |
| ChEMBL | CHEMBL1160509 |
| ChEBI | CHEBI:7728 |
| EC No. | 203-916-0 |
| DTXSID | DTXSID8021939 |
| 현지명 | 옥틸아민 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 43.8 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aliphatic |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 0.779 @ 20°C0.782 g/mL at 25 °C(lit.) |
| 증기압 | 0.96 [mmHg]1 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | Octanamine appears as a yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.Yellow liquid with an ammoniacal odor[CAMEO] Clear colorless liquid[Sigma-Aldrich MSDS] |
| 녹는점 | −5-−1 °C(lit.) |
| 끓는 점 | 175-177 °C(lit.) |
| 굴절률 | n20/D 1.429(lit.) |
| 인화점 | 145 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 0.32g/L |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 10.65(at 25℃) |
| 색상 | 투명한 |
| pH | 11.8 (100g/l, H2O, 25℃) |
| 냄새 | 강한 비린내 암모니아 같은 냄새 |
| 폭발한계 | 1.6-8.2%(V) |
| 용해도 | 0.2g/L(25℃) |
| BRN | 1679227 |
| 헨리 상수 | 2.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 3.5800000000000001 |
| InChI | 1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 |
| InChIKey | IOQPZZOEVPZRBK-UHFFFAOYSA-N |
| SMILES | CCCCCCCCN |
| LogP(분배 계수) | 3.46 at 20℃ |
| NIST | 1-Octanamine(111-86-4) |
| EPA | Octylamine (111-86-4) |
화학적 성질
CLEAR LIQUID
안전 및 규제
| GHS 분류 | DangerH226 (95.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 790 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: 1-Octanamine1-Octanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanamine 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: 28-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1996Octylamine: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 건강 유해성 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 유해성 요약 | A severe eye irritantCauses somnolence in dermal lethal-dose studies of rabbits[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tractHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | OCTANAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (95.9%)Flammable liquids - Category 3 |
| 소화 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 응급 처치 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Protective Action Criteria (PAC) | 1.1 [mg/m3]12 [mg/m3]71 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | RG8050000 |
| 운송 번호(UN) | UN 2735 8/PG 2 |
| 독성 | LD50 orally in Rabbit: > 250 mg/kg LD50 dermal Rabbit 200 - 2000 mg/kg |
| 관세 코드 | 29211980 |
| 위험 문구(R) | 34-50-35-20/21/22 |
| 위험 표시 | C,N |
| 안전 문구(S) | 26-36/37/39-45-61-29 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3 |
| 기존화학 물질 | KE-26611 |
| 자연 발화 온도 | 265 °C |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
1-Octylamine is used as a precursor to prepare chemicals. It finds application in functional fluids and as a laboratory reagent. Further, it is used as a reactant in the preparation of 2H-indazoles and 1H-indazolones, which are used as myeloperoxidase(MPO) inhibitors.
일반 설명
A yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
제조 및 합성 방법
생산 방법
Specific uses were not located in the literature. 1-Octylamine is manufactured under the tradenameArmeen8D(Armak).