3-Mercaptopropanol (HCID 88211)

이름 및 식별자

우선 이름: 3-Mercaptopropanol
IUPAC: 3-sulfanylpropan-1-ol
영어명: 3-Mercapto-1-propanol
분자식: C3H8OS
분자량: 92.16

이름 및 동의어

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

이름 더 보기

MercaptopropanolMercapto-1-propanol3-mercapto-1-propano1-propanol,3-mercaptoFudosteine Impurity 31

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 21.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 5
형식 전하: 0
복잡도: 16

실험 및 물리화학적 성질

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

Kovats Retention Index · 3건

849；840；840；852；852

798

1620；1665；1665；1665

물리화학적 성질

끓는 점: 81 · 81-82 °C/10 mmHg (lit.)
밀도: 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.495(lit.)
인화점: 185 °F · 185 °F
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 액체
산도 계수 (pKa): 10.05 · 10.05±0.10(Predicted)
색상: 무색의
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: 1 · 1-Propanol, 3-mercapto- (19721-22-3)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

독성 정보

Adverse EffectsOther Poison - Chemical Asphyxiant

규제 정보

Regulatory Information · 2건

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

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UB7630000
ridadr: UN 2810 6.1/PG 3
HS 번호: 29309099
risk_code: 24/25
hazard_code: T
safety_code: 28-36/37-45
포장분류: III
위험 등급: 6.1
F 고인화성물질: 13
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing Information · 2건

1-Propanol, 3-mercapto-: ACTIVE

Propanol, mercapto-: ACTIVE

응용 분야

용도3-Mercapto-1-propanol is used to produce hydrophilic SAMs. Also used as a Traceless Linker for Chemical and Enzymatic Synthesis of Oligosaccharides1