홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

옥틸아민

Octylamine

HCID 8143
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
111-86-4
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 물성보충 중

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 · 3건

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
-1 °C · -1 °C
끓는 점
176 °C · 176 °C
밀도
0.78 · 0.78
증기압
1 mm · 1 mm Hg ( 20 °C)
굴절률
1.43 · 1.43
인화점
65 °C · 65 °C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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 · 4건

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 · 1건

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]

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 · 2건

Computer and Electronic Product Manufacturing

1-Octanamine: ACTIVE

응용 분야 · 2건

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

디-n-옥틸아민옥탄니트릴(노르말)

하류 제품

관련 반응

215건
반응 기록 만들기
HRID 8416 반응식
HRID 8416반응물로uspto-grants-2006_08
HRID 8418 반응식
HRID 8418반응물로uspto-grants-2006_08
HRID 26005 반응식
HRID 26005반응물로uspto-grants-1979_04
HRID 26010 반응식
HRID 26010반응물로uspto-grants-1979_04
HRID 37454 반응식
HRID 37454반응물로uspto-grants-1995_05
HRID 65420 반응식
HRID 65420반응물로uspto-grants-1986_09
HRID 66809 반응식
HRID 66809반응물로uspto-grants-1982_08
HRID 66814 반응식
HRID 66814반응물로uspto-grants-1982_08
1 / 27 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
저장 조건
30 °C · Store below +30°C.
용해도
0.32 g/L · 0.32g/L
산도 계수 (pKa)
10.65 · 10.65(at 25℃)
물리적 상태
clear liquid
색상
Colorless to Light yellow
냄새
강한 비린내 암모니아 같은 냄새
수소이온지수(pH)
11.8 · 11.8 (100g/l, H2O, 25℃)
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

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1건

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 · 2건

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) · 3건

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
2921199090
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
디메틸노르말옥틸아민N-옥틸라민하이드로보로이드1-옥틸-2-메틸인돌1,3-Dibromo-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione

추가 설명

정의ChEBI: An 8-carbon primary aliphatic amine.