CAS 77-75-8 3-Methyl-1-pentyn-3-ol (HCID 6494)

개요

Methylpentynol is a ynone.

이름 및 식별자

우선 이름: 3-Methyl-1-pentyn-3-ol
IUPAC: 3-methylpent-1-yn-3-ol
현지명: 3-메틸-1-펜틴-3-올
영어명: 3-Methyl-1-pentyn-3-ol
분자식: C6H10O
분자량: 98.14

이름 및 동의어

3-Methyl-1-pentyn-3-olMeparfynol77-75-8Methylpentynol3-Methylpent-1-yn-3-olMethylparafynolSeralAllotropalDormidinDormigenDormiphenDormison

이름 더 보기

3-메틸-1-펜틴-3-올BDHUTILDalgolComesaOlosotSDR9C1Dorison

DormosanFormisonImnudormMelpintolPentadormPerlopalSomnesinApridol

데이터베이스 식별자

CAS: 77-75-8
PubChem CID: 6494
DTXSID: DTXSID5021756
ChEMBL: CHEMBL501613
ChEBI: CHEBI:134752
UNII: B017BC5B1N
EC Number: 201-055-5
Nikkaji: J4.212I

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 98

실험 및 물리화학적 성질

Drugs · 2건

DEA NFLIS-Drug Category -> Depressants and Tranquilizers

Pharmaceuticals -> Hypnotics

PolymersOther Classes -> Alcohols and Polyols, Other

Vapor Pressure5.25 [mmHg]

Physical DescriptionLiquid with an acrid odor; [Merck Index] Clear slightly yellow liquid; [Acros Organics MSDS]

물리화학적 성질

녹는점: -30 °C · -30 °C
끓는 점: 121 · 121-122 °C(lit.)
밀도: 0.866 g/mL · 0.866 g/mL at 25 °C(lit.)
증기 밀도: 3 · 3 (vs air)
증기압: 6.5 mm · 6.5 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.431(lit.)
인화점: 80 °F · 80 °F
저장 조건: Flammables area
용해도: 셀로솔브: 혼합 가능
산도 계수 (pKa): 13.34 · 13.34±0.29(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
폭발한계: 1.8 · 1.8-16.0%(V)
Merck: 13 · 13,5870
BRN: 969340 · 969340
Henry's Law Constant: 9.9 · 9.9×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
NIST: Meparfynol(77-75-8)
EPA: 3 · 3-Methyl-1-pentyn-3-ol (77-75-8)

화학적 성질

Clear slightly yellow liquid or low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P273, P280, P301+P317, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 170 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Pentyn-3-ol, 3-methyl-

Status: Active Update: 07-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11071

3-Methyl-1-pentyn-3-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Causes somnolence and convulsions in subcutaneous lethal-dose studies of mice; [RTECS] May cause serious eye injury; Harmful by ingestion; [ECHA REACH Registrations] May cause irritation and CNS depression; Harmful by ingestion; [Acros Organics MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: SC4900000
ridadr: UN 1986 3/PG 3
독성: LD50 orally in mice, rats, guinea pigs: 600-900 mg/kg (Margolin)
HS 번호: 29280090
risk_code: 10-22-51/53-2017/10/22
hazard_code: Xn,F+
safety_code: 23-36-61
포장분류: III
위험 등급: 3
기존화학 물질: KE-24788

화학 및 산업

약리 정보

ATC Code · 2건

N - Nervous system

QN - Nervous system

용도 및 제조

UsesUsed as a hypnotic and sedative; [Merck Index] Used as an intermediate; [ECHA REACH Registrations]

General Manufacturing Information1-Pentyn-3-ol, 3-methyl-: ACTIVE

응용 분야 · 1건

용도Stabilizer in chlorinated solvents, viscousreducer, electroplating brightener, intermediate insyntheses of hypnotics and isoprenoid chemicals,solvent for polyamide resins, acid inhibitor, preven-tion of hydrogen embrittlement, medicine (soporificand anesthetic).