3-Octyn-1-ol

HCID 84694CAS 14916-80-4

기본 정보

표준 SMILES: CCCCC#CCCO
InChIKey: LRZGRGVRZSDRTK-UHFFFAOYSA-N
분자식: C8H14O
평균 분자량: 126.2 g/mol
단동위원소 질량: 126.10446507

이름 및 식별자

우선 이름: 3-Octyn-1-ol
IUPAC: oct-3-yn-1-ol
영어명: 3-Octyn-1-ol
분자식: C8H14O
분자량: 126.2

이름 및 동의어

3-Octyn-1-oloct-3-yn-1-olPJK55CL7Z5EINECS 238-986-1NSC 67251NSC-67251AI3-07044DTXSID8065828RefChem:95195DTXCID2034833LRZGRGVRZSDRTK-UHFFFAOYSA-N14916-80-4

이름 더 보기

octynol1-octylne-3-ol3-Octyn-1-ol>3-Octyn-1-ol,98%3-OCTYN-1-OL 98%TIMTEC-BB SBB0091063-Octyn-1-ol CAS NO.14916-80-4

MFCD000395523-octyne-1-ol1-Hydroxyoctin-(3)UNII-PJK55CL7Z53-Octyn-1-ol,98%3-Octyn-1-ol, 97%SCHEMBL487757SCHEMBL5056447

데이터베이스 식별자

CAS: 14916-80-4
PubChem CID: 84694
DTXSID: DTXSID8065828
UNII: PJK55CL7Z5
EC Number: 238-986-1
Nikkaji: J126.452D

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 104

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: -39 °C · -39°C (estimate)
끓는 점: 86 · 86-88 °C (9 mmHg)
밀도: 0.88 g/mL · 0.880 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4569(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 14.34 · 14.34±0.10(Predicted)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 물에 용해됩니다.
BRN: 1739950 · 1739950
InChI: 1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-4,7-8H2,1H3
InChIKey: LRZGRGVRZSDRTK-UHFFFAOYSA-N
SMILES: CCCCC#CCCO
EPA: 3 · 3-Octyn-1-ol (14916-80-4)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: 238-986-1
HS 번호: 29052900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
기존화학 물질: KE-26787
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information3-Octyn-1-ol: ACTIVE

응용 분야 · 2건

용도3-Octyn-1-ol, is used for a study of the reduction of acetylenic compounds, including this alcohol, to (E)-alkenes by alkali metals in liquid ammonia. Some other applications includes as corrosion inhibitor formulation, metal complex solution, solvent stabilizer, biodegradable chemical intermediate to make pharmaceuticals, chemical compound synthesis and reagents

일반 설명3-Octyn-1-ol is a homopropargylic alcohol that can be prepared from 3-butyn-1-ol and 1-bromobutane.