3-Mercaptopropanol (HCID 88211)

名称と識別子

優先名称: 3-Mercaptopropanol
IUPAC: 3-sulfanylpropan-1-ol
現地名: 3-メルカプト-1-プロパノール
英語名: 3-Mercapto-1-propanol
分子式: C3H8OS
分子量: 92.16

名称と別名

3-mercaptopropanolRefChem:9114643-Mercapto-1-propanol19721-22-33-Sulfanylpropan-1-ol1-Propanol, 3-mercapto-3-Hydroxypropanethiol3-Hydroxypropyl mercaptan3-Mercaptopropan-1-olDTXSID30518361-mercapto-3-propanol3-Sulfanyl-1-propanol

名称をさらに表示

3-メルカプト-1-プロパノール3-メルカプトプロパン-1-オール3-スルファニルプロパン-1-オールMercaptopropanolMercapto-1-propanol3-mercapto-1-propano1-propanol,3-mercaptoFudosteine Impurity 31

MFCD00192262WY6F8YVC7Z3-Mercaptopropanol;NSC-4643763947-56-8NSC464373-mecapto-1-propanol3-mecaptopropan-1-ol

データベース識別子

CAS: 19721-22-3、63947-56-8
PubChem CID: 88211
DTXSID: DTXSID3051836
ChEMBL: CHEMBL3234722
UNII: WY6F8YVC7Z
EC Number: 627-858-4
Nikkaji: J803.167C

物性

構造計算による物性

XLogP: 0.2
極性表面積: 21.2 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 5
形式電荷: 0
複雑度: 16

実験および物理化学的性質

Physical DescriptionClear colorless viscous liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index · 3 件

849；840；840；852；852

798

1620；1665；1665；1665

物理化学的性質

沸点: 81 · 81-82 °C/10 mmHg (lit.)
比重(密度): 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
屈折率: 20 · n20/D 1.495(lit.)
闪点: 185 °F · 185 °F
貯蔵温度: 2 · 2-8°C, stored under nitrogen
外見: 液体
酸解離定数(Pka): 10.05 · 10.05±0.10(Predicted)
色: 無色透明
BRN: 1731082 · 1731082
InChI: InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2
InChIKey: SHLSSLVZXJBVHE-UHFFFAOYSA-N
SMILES: C(O)CCS
LogP: 0.41 · 0.410 (est)
EPAの化学物質情報: 1 · 1-Propanol, 3-mercapto- (19721-22-3)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazards SummaryCauses tremor, ataxia, and dyspnea in oral lethal-dose studies of rats; [RTECS] May cause irritation; Toxic by ingestion and skin absorption; [Sigma-Aldrich MSDS] See 1-Propanethiol.

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

法規制情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

安全データ

F: 13
wgk: 3
tsca: TSCA listed
rtecs: UB7630000
ridadr: UN 2810 6.1/PG 3
hs_code: 29309099
risk_code: 24/25
消防法: 危-4-3-III
hazard_code: T
safety_code: 28-36/37-45
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing Information · 2 件

1-Propanol, 3-mercapto-: ACTIVE

Propanol, mercapto-: ACTIVE

応用分野

使用3-Mercapto-1-propanol is used to produce hydrophilic SAMs. Also used as a Traceless Linker for Chemical and Enzymatic Synthesis of Oligosaccharides1