3-에틸-3-옥세탄메탄올

Oxt-101

HCID 76444CAS 3047-32-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC1(CO)COC1
InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYSA-N
분자식: C6H12O2
평균 분자량: 116.16 g/mol
단동위원소 질량: 116.08372962

이름 및 식별자

우선 이름: Oxt-101
IUPAC: (3-ethyloxetan-3-yl)methanol
현지명: 3-에틸-3-옥세탄메탄올
영어명: 3-Ethyl-3-oxetanemethanol
분자식: C6H12O2
분자량: 116.16

이름 및 동의어

3-Ethyl-3-oxetanemethanol3047-32-33-Oxetanemethanol, 3-ethyl-3-Ethyloxetane-3-methanol3-ethyl-3-hydroxymethyloxetane3-Hydroxymethyl-3-ethyloxetaneOXT-1013-ethyl-3-(hydroxymethyl)oxetane622325VBYOOXA (OXETANE)EINECS 221-254-0DTXSID8062812

이름 더 보기

3-에틸-3-옥세탄메탄올(3-Ethyloxetan-3-yl)Methanol3-ethylEOXAEOXEHMOOXA (oxetYF-FM EHMOMonomer-EHMO

TRIMETHYLOLPROPANE OXETANEOXT 1013-ETHYL-3-METHYLOLOXETANEEC 221-254-03-ETHYL-3-OXETANYLMETHYL ALCOHOL3-ETHYL-3-(HYDROXYMETHYL)OXACYCLOBUTANERefChem:857812DTXCID5038204

데이터베이스 식별자

CAS: 3047-32-3
PubChem CID: 76444
DTXSID: DTXSID8062812
UNII: 622325VBYO
EC Number: 221-254-0
Nikkaji: J27.218C

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 76.6

실험 및 물리화학적 성질

Physical DescriptionLiquid; CBI

물리화학적 성질

끓는 점: 96 °C/4 · 96 °C/4 mmHg (lit.)
밀도: 1.019 g/mL · 1.019 g/mL at 25 °C (lit.)
증기압: 3.1 Pa · 3.1Pa at 25℃
굴절률: 20 · n20/D 1.453(lit.)
인화점: 227 °F · 227 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 14.58 · 14.58±0.10(Predicted)
색상: 무색의
수용성: 물에 섞임.
InChI: InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYSA-N
SMILES: O1CC(CC)(CO)C1
LogP: 0.6 at · 0.6 at 25℃
EPA: 3 · 3-Oxetanemethanol, 3-ethyl- (3047-32-3)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (54.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 329 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 3-Oxetanemethanol, 3-ethyl-

3-Oxetanemethanol, 3-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Oxetanemethanol, 3-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11336

3-ethyl-3-hydroxymethyloxetane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Sens. 1 (54.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29329990
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 37/39-26-24/25
기존화학 물질: 2009-3-4089
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 100,000 - <250,000 lb

Industry UsesDiluent

General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

3-Oxetanemethanol, 3-ethyl-: ACTIVE

응용 분야

용도3-Ethyl-3-oxetanemethanol is used as pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海利卡斯实业有限公司19821976800 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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