CAS 42969-65-3 (2R)-but-3-yn-2-ol (HCID 638102)

이름 및 식별자

우선 이름: (2R)-but-3-yn-2-ol
IUPAC: (2R)-but-3-yn-2-ol
현지명: (R)-(+)-3-부틴-2-올
영어명: (R)-(+)-3-Butyn-2-ol
분자식: C4H6O
분자량: 70.09

이름 및 동의어

(2R)-but-3-yn-2-ol3-Butyn-2-ol, (2R)-RefChem:397412610-091-4(R)-(+)-3-Butyn-2-ol42969-65-3(R)-but-3-yn-2-ol(R)-3-butyn-2-olMFCD00211237(2R)-3-butyn-2-ol(+)-3-butyn-2-olDTXSID70274155

이름 더 보기

(R)-(+)-3-부틴-2-올r-3-butyn-2-ol98%TECO-003(R)-3-BUTYN-2-O(R)-3-BUTYNE-2-OL(2R)-3-Butyne-2-ol(R)-(+)3-Bytyn-2-ol(R)-(+)-1-BUTYN-3-O

BCP15480(r)-(+)-alpha-methylpropargyl alcohol(R)-(+)-3-Butyn-2-ol, 98%PS-17837BB 0261027CS-0094046(R)-but-3-yn-2-oSCHEMBL466800

데이터베이스 식별자

CAS: 42969-65-3
PubChem CID: 638102
DTXSID: DTXSID70274155
EC Number: 610-091-4
Nikkaji: J52.848J

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 57

물리화학적 성질

녹는점: -22.07 °C · -22.07°C (estimate)
끓는 점: 108 · 108-111 °C (lit.)
밀도: 0.89 g/mL · 0.89 g/mL at 25 °C (lit.)
굴절률: 1.4235 · 1.4235-1.4255
인화점: 10 °C · 10°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 13.28 · 13.28±0.20(Predicted)
Specific Gravity: 0.88 · 0.88
색상: 무색~황색으로 투명함
BRN: 3587272 · 3587272
InChI: InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1
InChIKey: GKPOMITUDGXOSB-SCSAIBSYSA-N
SMILES: C[C@@H](O)C#C

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]；H300 (89.1%): Fatal if swallowed [Danger Acute toxicity, oral]；H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (82.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (91.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H351 (82.6%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)；Acute Tox. 2 (89.1%)；Acute Tox. 3 (10.9%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (82.6%)；Eye Dam. 1 (84.8%)；Eye Irrit. 2 (15.2%)；Acute Tox. 2 (91.3%)；STOT SE 3 (95.7%)；Carc. 2 (82.6%)

안전 데이터

wgk: 3
ridadr: 1986
HS 번호: 29052900
risk_code: 11-23/24/25-36/37/38-28-24-43-41-40-26/28-10
hazard_code: F,T+
safety_code: 16-23-26-36/37/39-45-28A-24
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 2 OralCarc. 2Eye Dam. 1Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids