1,4-Butanediol monovinyl ether (HCID 87329)

이름 및 식별자

우선 이름: 1,4-Butanediol monovinyl ether
IUPAC: 4-ethenoxybutan-1-ol
영어명: 1,4-Butanediol vinyl ether
분자식: C6H12O2
분자량: 116.16

이름 및 동의어

17832-28-91-Butanol, 4-(ethenyloxy)-4-(Vinyloxy)butan-1-ol4-Hydroxybutyl vinyl ether4-(Ethenyloxy)butan-1-ol4-(Vinyloxy)-1-butanolTetramethylene Glycol Monovinyl Ether1,4-Butanediol monovinyl etherDTXSID60448548LGM5RZX0NRAPI-CURE HBVEEINECS 241-793-5

이름 더 보기

HBVEHYDROXYBUTYL VINYL ETHERBUTANEDIOL MONOVINYL ETHER4-VINYLOXYBUTANOL4-Vinyloxy-1-butanol5-Oxa-6-heptene-1-ol4-vinyloxy-butan-1-ol

4-(VINYLOXY)BUTANOL4-ETHENYLOXY-1-BUTANOLDTXCID4024854EC 241-793-51-BUTANOL, 4-(VINYLOXY)-RefChem:4164971,4-Butanediol vinyl ether4-ethenoxybutan-1-ol

데이터베이스 식별자

CAS: 17832-28-9
PubChem CID: 87329
DTXSID: DTXSID6044854
ChEMBL: CHEMBL3182123
UNII: 8LGM5RZX0N
EC Number: 241-793-5
Nikkaji: J51.553A

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 8
형식 전하: 0
복잡도: 52.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesViscosity

Physical DescriptionLiquid

물리화학적 성질

녹는점: -33 °C · -33 °C
끓는 점: 95 °C/20 · 95 °C/20 mmHg (lit.)
밀도: 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
증기압: 0.3 hPa · 0.3 hPa (20 °C)
굴절률: 20 · n20/D 1.444(lit.)
인화점: 185 °F · 185 °F
저장 조건: 20 °C · Store at <= 20°C.
용해도: 75 g/L · 75g/L
산도 계수 (pKa): 15.04 · 15.04±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 0.93 · 0.93
폭발한계: 1.4 · 1.4-9.9%(V)
수용성: 75 g/L · 75g/L(20℃)
InChI: 1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2
InChIKey: HMBNQNDUEFFFNZ-UHFFFAOYSA-N
SMILES: OCCCCOC=C
LogP: 0.43 at · 0.43 at 25℃
EPA: 1 · 1-Butanol, 4-(ethenyloxy)- (17832-28-9)

화학적 성질

1,4-Butanediol vinyl ether (HBVE; 4-Hydroxybutyl vinyl ether) is a colorless or light yellow transparent liquid with a slight odor similar to ether. It is miscible with alcohols, ethers, esters and aromatic hydrocarbons.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3.5% (6 of 171) of reports.

Warning

H302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

1-Butanol, 4-(ethenyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 4-(ethenyloxy)- 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: 30-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11952

1,4-Butanediolmonovinylether: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (90.6%)