3-Methoxy-1-butanol (HCID 17291)

개요

3-methoxy-1-butanol is a primary alcohol that is butane-1,3-diol in which the hydroxy group at position 3 is replaced by a methoxy group. It is a primary alcohol and an ether. It is functionally related to a butane-1,3-diol.

이름 및 식별자

우선 이름: 3-Methoxy-1-butanol
IUPAC: 3-methoxybutan-1-ol
현지명: 3-메톡시-1-부탄올
영어명: 3-Methoxy-1-butanol
분자식: C5H12O2
분자량: 104.15

이름 및 동의어

3-Methoxybutan-1-ol3-METHOXY-1-BUTANOL2517-43-33-Methoxybutanol1-Butanol, 3-methoxy-3-methoxybutyl alcoholCCRIS 8976DTXSID0044812EINECS 219-741-8UNII-SJ995B41AONSC 65580SJ995B41AO

이름 더 보기

3-메톡시-1-부탄올3-메톡시부탄올3-메톡시부탄올(3-METHOXYBUTANOL)3-메톡시-1-뷰탄올Methoxy-1-butaMethoxybutanolUNII:SJ995B41AO3-methoxy-1-butano3-METHOXY-N-BUTANOL1-Butanol,3-methoxy-3-METHOXYBUTANOL 99%

AI3-24920NSC-65580DTXCID8024812CHEBI:189086EC 219-741-8RefChem:945553-METHOXYBUTANOL [INCI]InChI=1/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H

데이터베이스 식별자

CAS: 2517-43-3
PubChem CID: 17291
DTXSID: DTXSID0044812
ChEMBL: CHEMBL3186019
ChEBI: CHEBI:189086
UNII: SJ995B41AO
EC Number: 219-741-8
Nikkaji: J2.160A

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 37.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: -85 °C · -85 °C
끓는 점: 161 °C · 161 °C
밀도: 0.928 g/mL · 0.928 g/mL at 25 °C(lit.)
증기압: 17 · 17-460Pa at 20-50℃
굴절률: 20 · n20/D 1.416(lit.)
인화점: 116 °F · 116 °F
저장 조건: Flammables area
물리적 상태: 액체
산도 계수 (pKa): 14.9 · 14.90±0.10(Predicted)
색상: 무색의
수용성: 녹는
화장품 원료 기능: 용제
InChI: 1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey: JSGVZVOGOQILFM-UHFFFAOYSA-N
SMILES: COC(C)CCO
LogP: 0.002 at · 0.002 at 25℃ and pH7
NIST: 1 · 1-Butanol-3-methoxy-(2517-43-3)
EPA: 1 · 1-Butanol, 3-methoxy- (2517-43-3)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 26.6% (155 of 583) of reports.

Warning

H226 (73.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 583 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 1-Butanol, 3-methoxy-

1-Butanol, 3-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy- 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: 13-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5155

1-Butanol, 3-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (73.4%)

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 1987 3/PG 3
HS 번호: 29094980
risk_code: 10
safety_code: 16
포장분류: III
위험 등급: 3.2
기존화학 물질: KE-23232
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2022: 1 lb

General Manufacturing Information1-Butanol, 3-methoxy-: ACTIVE

응용 분야 · 1건

용도3-Methoxy-1-butanol can be used as: A solvent in the synthesis of potassium 3-methoxy-1-butylxanthate, an intermediate used in the preparation of xanthate complexes. A model compound in the study of dehydration of alcohols using CeO2as a catalyst. An intermediate to synthesize perylene diimide-based dyes applicable as the colorant of the black matrix.