기본 정보
- 표준 SMILES
CCCCCCCCN- InChIKey
IOQPZZOEVPZRBK-UHFFFAOYSA-N- 분자식
- C8H19N
- 평균 분자량
- 129.24 g/mol
- 단동위원소 질량
- 129.15174961
개요
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.
이름 및 식별자
- 우선 이름
- Octylamine
- IUPAC
- octan-1-amine
- 현지명
- 옥틸아민
- 영어명
- Octylamine
- 분자식
- C8H19N
- 분자량
- 129.24
이름 및 동의어
Octylamineoctan-1-amineN-OCTYLAMINE111-86-41-Aminooctane1-Octanamine1-OctylamineCaprylamineCaprylylamineOctanamineArmeen 8Armeen 8D
이름 더 보기
옥틸아민n-옥틸아민AMINE C8Octylaminocylaminearmeen8
MonoctylamineDTXSID8021939SF0V8U4T67GENAMIN 8RNSC-9824CHEBI:7728DTXCID401939RefChem:167904
데이터베이스 식별자
- CAS
111-86-4、68037-94-5- PubChem CID
- 8143
- DTXSID
DTXSID8021939- ChEMBL
CHEMBL1160509- ChEBI
CHEBI:7728- UNII
- SF0V8U4T67
- EC Number
- 203-916-0
- Nikkaji
- J5.115B
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 26 Ų
- 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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials PropertiesBoiling point
Density0.779 @ 20°C
Vapor Pressure0.96 [mmHg]
Food Contact SubstancesFCS -> 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.
Liquid
Yellow liquid with an ammoniacal odor; [CAMEO] Clear colorless liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 5 · −5-−1 °C(lit.)
- 끓는 점
- 175 · 175-177 °C(lit.)
- 밀도
- 0.782 g/mL · 0.782 g/mL at 25 °C(lit.)
- 증기압
- 1 mm · 1 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.429(lit.)
- 인화점
- 145 °F · 145 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 0.32 g/L · 0.32g/L
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.65 · 10.65(at 25℃)
- 색상
- 투명한
- 수소이온지수(pH)
- 11.8 · 11.8 (100g/l, H2O, 25℃)
- 냄새
- 강한 비린내 암모니아 같은 냄새
- 폭발한계
- 1.6 · 1.6-8.2%(V)
- 수용성
- 0.2 g/L · 0.2g/L(25℃)
- BRN
- 1679227 · 1679227
- Henry's Law Constant
- 2.2 · 2.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 3.58 · 3.5800000000000001
- InChI
- 1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
- InChIKey
- IOQPZZOEVPZRBK-UHFFFAOYSA-N
- SMILES
- CCCCCCCCN
- LogP
- 3.46 at · 3.46 at 20℃
- NIST
- 1 · 1-Octanamine(111-86-4)
- EPA
- Octylamine (111-86-4)
화학적 성질
CLEAR LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (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.
Danger
H226: Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: 1-Octanamine
1-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/1996
Octylamine: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary
A severe eye irritant; Causes somnolence in dermal lethal-dose studies of rabbits; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]
Reactive GroupAmines, 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 ReactionsInsoluble in water.
Hazard Classes and Categories
Flam. Liq. 3 (95.9%)
Flammable liquids - Category 3
안전 및 보호
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt 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)]:
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RG8050000
- ridadr
- UN 2735 8/PG 2
- 독성
- LD50 orally in Rabbit: > 250 mg/kg LD50 dermal Rabbit 200 - 2000 mg/kg
- HS 번호
- 29211980
- risk_code
- 34-50-35-20/21/22
- hazard_code
- C,N
- safety_code
- 26-36/37/39-45-61-29
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-26611
- 자연 발화 온도
- 265 °C
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
UsesUsed to make other chemicals; [CAMEO] Used to make large scale and fine chemicals, in functional fluids, and as a laboratory reagent; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesLubricating agent
Industry UsesIntermediate
General Manufacturing Information
Computer and Electronic Product Manufacturing
1-Octanamine: ACTIVE
응용 분야
용도1-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 설명A 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 방법
생산 방법Specific uses were not located in the literature. 1-Octylamine is manufactured under the tradenameArmeen8D(Armak).
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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추가 설명
정의ChEBI: An 8-carbon primary aliphatic amine.
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