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

名称と識別子

優先名称: (2R)-but-3-yn-2-ol
IUPAC: (2R)-but-3-yn-2-ol
現地名: (R)-(+)-3-ブチン-2-オール
英語名: (R)-(+)-3-Butyn-2-ol
分子式: C4H6O
分子量: 70.09

名称と別名

(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

名称をさらに表示

(R)-(+)-3-ブチン-2-オール(R)-1-ブチン-3-オール(R)-3-ブチン-2-オール(1R)-1-メチル-2-プロピン-1-オール[R,(+)]-3-ブチン-2-オール(2R)-3-ブチン-2-オール(R)‐(+)‐3‐ブチン‐2‐オール(R)-(+)-3-ブチン-2-オール, 99%r-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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.1
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 57

物理化学的性質

融点: -22.07 °C · -22.07°C (estimate)
沸点: 108 · 108-111 °C (lit.)
比旋光度: 46.7 · 46.7 º (neat)
比重(密度): 0.89 g/mL · 0.89 g/mL at 25 °C (lit.)
屈折率: 1.4235 · 1.4235-1.4255
闪点: 10 °C · 10°C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 液体
酸解離定数(Pka): 13.28 · 13.28±0.20(Predicted)
比重: 0.88 · 0.88
色: 無色透明～黄色
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
CAS データベース: 42969 · 42969-65-3(CAS DataBase Reference)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

wgk: 3
ridadr: 1986
hs_code: 29052900
risk_code: 11-23/24/25-36/37/38-28-24-43-41-40-26/28-10
消防法: 危-4-2-III
hazard_code: F,T+
safety_code: 16-23-26-36/37/39-45-28A-24
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 2 OralCarc. 2Eye Dam. 1Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 3 - Flammable liquids