기본 정보
- 표준 SMILES
C#CC(C)O- InChIKey
GKPOMITUDGXOSB-UHFFFAOYSA-N- 분자식
- C4H6O
- 평균 분자량
- 70.09 g/mol
- 단동위원소 질량
- 70.04186481
개요
structure in first source
이름 및 식별자
- 우선 이름
- 3-Butyn-2-ol
- IUPAC
- but-3-yn-2-ol
- 영어명
- 3-Butyn-2-ol
- 분자식
- C4H6O
- 분자량
- 70.09
이름 및 동의어
3-Butyn-2-ol2028-63-9MethylethynylcarbinolRefChem:499531217-978-1but-3-yn-2-ol3-Butyne-2-ol1-BUTYN-3-OL1-Methylpropargyl alcohol3-Hydroxy-1-butyne1-Ethynylethanol1-Methyl-2-propynyl alcohol
이름 더 보기
Butynol3-butyn-2-0l3-Bytyn-2-ol3-Butyne-2-Ol98%3-Butyn-2-ol,97%3-Butyn-2-ol >(R)-3-BUTYNE-2-OL
65337-13-5MFCD00004541Ethynylmethylcarbinol(+/-)-3-butyn-2-ol.alpha.-Methylpropargyl alcohol(R)-(+)-1-Butyn-3-olalpha-Methylpropargyl alcoholdl-3-butyn-2-ol
데이터베이스 식별자
- CAS
2028-63-9- PubChem CID
- 16239
- DTXSID
DTXSID3022297- EC Number
- 217-978-1
- Nikkaji
- J65.780H
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 57.3
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionColorless or light yellow liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -1.5 °C · -1.5°C
- 끓는 점
- 66 · 66-67 °C/150 mmHg (lit.)
- 밀도
- 0.894 g/mL · 0.894 g/mL at 25 °C (lit.)
- 증기압
- 11 hPa · 11hPa at 20℃
- 굴절률
- 20 · n20/D 1.426(lit.)
- 인화점
- 78 °F · 78 °F
- 저장 조건
- Flammables area
- 수용성
- Completely miscible in water
- 산도 계수 (pKa)
- 13.28 · 13.28±0.20(Predicted)
- 물리적 상태
- 액체
- Specific Gravity
- 0.894 · 0.894
- 색상
- 무색투명~연황색
- BRN
- 635722 · 635722
- InChI
- 1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3
- InChIKey
- GKPOMITUDGXOSB-UHFFFAOYSA-N
- SMILES
- CC(O)C#C
- LogP
- 1.1 at · 1.1 at 35℃
- NIST
- 3 · 3-Butyn-2-ol(2028-63-9)
- EPA
- 3 · 3-Butyn-2-ol (2028-63-9)
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (68.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 3-Butyn-2-ol
Status: Active Update: 04-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19561
3-Butyn-2-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; Highly toxic by ingestion and skin absorption; Dermal LD50 (rabbit) < 200 mg/kg; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (68.8%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ES0709800
- ridadr
- UN 2929 6.1/PG 2
- HS 번호
- 29052900
- risk_code
- 10-25-36/38-36/37/38-24/25
- hazard_code
- T,F
- safety_code
- 26-45-36/37/39-16
- 포장분류
- II
- 위험 등급
- 6.1
- 기존화학 물질
- KE-04393
- F 고인화성물질
- 10
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Self-react. GSkin Irrit. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing Information3-Butyn-2-ol: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
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