3-Buten-1-ol (HCID 69389)

이름 및 식별자

우선 이름: 3-Buten-1-ol
IUPAC: but-3-en-1-ol
영어명: 3-Buten-1-ol
분자식: C4H8O
분자량: 72.11

이름 및 동의어

3-Buten-1-ol627-27-0but-3-en-1-olAllylcarbinol3-Butenyl alcohol1-Buten-4-olVinylethyl alcohol3-Butene-1-OLMFCD00002959CH2=CHCH2CH2OHBUTEN-(3)-O1-(L)3-Buten-1-O1

이름 더 보기

4-HYDROXY-1-BUTENE3-buten-1-0l

3DB2KRM1I9NSC-60194Homoallyl AlcoholNSC 60194UNII-3DB2KRM1I93-butenolhydroxy-3-butene3-butene-ol

데이터베이스 식별자

CAS: 627-27-0
PubChem CID: 69389
DTXSID: DTXSID2060836
ChEBI: CHEBI:193941
UNII: 3DB2KRM1I9
EC Number: 210-991-3
Nikkaji: J134.573G、J2.040.003J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 5
형식 전하: 0
복잡도: 24

실험 및 물리화학적 성질

Boiling Point113.50 °C. @ 760.00 mm Hg

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index · 3건

609；620；640；640；641；663；620；640；640；641；640；641；638；617.8；624.1；629

596；597

1171；1170；1149；1185；1187；1209；1185；1187；1209；1178；1137；1190.1；1180.6

물리화학적 성질

녹는점: -31.44 °C · -31.44°C (estimate)
끓는 점: 112 · 112-114 °C (lit.)
밀도: 0.838 g/mL · 0.838 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.421(lit.)
인화점: 90 °F · 90 °F
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 15.04 · 15.04±0.10(Predicted)
물리적 상태: 액체
색상: 무색투명~미황색
Specific Gravity: 0.843 · 0.843
폭발한계: 2 · 2-28%(V)
수용성: 녹는
BRN: 1633504 · 1633504
안정성: 안정적인. 산, 산 염화물, 산 무수물, 산화제와 호환되지 않습니다. 가연성.
InChI: 1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
InChIKey: ZSPTYLOMNJNZNG-UHFFFAOYSA-N
SMILES: OCCC=C
LogP: 0.679 · 0.679 (est)
NIST: 3 · 3-Buten-1-ol(627-27-0)
EPA: 3 · 3-Buten-1-ol (627-27-0)

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (54.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (45.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (44.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (53.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 193 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 3-Buten-2-ol.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (99%)；Eye Dam. 1 (54.9%)；Eye Irrit. 2 (45.1%)；STOT SE 3 (44.6%)

규제 정보

Regulatory Information3-Buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1987 3/PG 3
HS 번호: 29052990
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36
포장분류: II
위험 등급: 3
기존화학 물질: KE-04114
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

General Manufacturing Information3-Buten-1-ol: ACTIVE

응용 분야 · 2건

용도3-Buten-1-ol is an aliphatic primary alcohol used as a reagent in organic synthesis.

일반 설명3-Buten-1-ol is a homoallyl alcohol that can be prepared by the dehydration of 1,4-butanediol using cerium catalyst. The intramolecular hydrogen bonding of 3-buten-1-ol has been studied using FT-IR and 1H NMR spectroscopic data. Its microwave spectrum has been recorded and analyzed. The alkylation reaction of 3-buten-1-ol using titanium-organoaluminum system has been studied. Its gas-phase enthalpy of formation has been reported to be -147.3 ± 1.8kJ mol-1.