트라이메틸 오쏘아세트산
Trimethyl orthoacetate
기본 정보
- CAS
1445-45-0- 표준 SMILES
COC(C)(OC)OC- InChIKey
HDPNBNXLBDFELL-UHFFFAOYSA-N- 분자식
- C5H12O3
- 평균 분자량
- 120.15 g/mol
- 단동위원소 질량
- 120.07864424
이름 및 식별자
- 우선 이름
- Trimethyl orthoacetate
- IUPAC
- 1,1,1-trimethoxyethane
- 현지명
- 트라이메틸 오쏘아세트산
- 영어명
- Trimethyl orthoacetate
- 분자식
- C5H12O3
- 분자량
- 120.15
이름 및 동의어
Trimethyl orthoacetate1,1,1-TRIMETHOXYETHANEEthane, 1,1,1-trimethoxy-CH3C(OCH3)3DTXSID8027400EINECS 215-892-9UNII-04H7A3FK37AI3-2433204H7A3FK37DTXCID507400RefChem:191754ETHANE,1,1,1-TRIMETHOXY ORTHOACETIC ACID,TRIMETHYL ESTER
이름 더 보기
트라이메틸오쏘아세트산트라이메틸 오쏘아세트산TMOAorthoacetateTrimethylorthoaceateTrimethylorthoacetattrimethyl-acetateTrimethyl o-acetate
HDPNBNXLBDFELL-UHFFFAOYSA-NInChI=1/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H1445-45-0Orthoacetic acid, trimethyl esterMethyl orthoacetateOrthoacetic Acid Trimethyl EsterMFCD000084771,1,1-trimethoxy-ethane
데이터베이스 식별자
- CAS
1445-45-0- PubChem CID
- 15050
- DTXSID
DTXSID8027400- ChEMBL
CHEMBL3188558- UNII
- 04H7A3FK37
- EC Number
- 215-892-9
- Nikkaji
- J101.082D
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 27.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 50.4
실험 및 물리화학적 성질
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionCBI; Liquid
물리화학적 성질
- 끓는 점
- 107 · 107-109 °C(lit.)
- 밀도
- 0.944 g/mL · 0.944 g/mL at 25 °C(lit.)
- 증기압
- 20 hPa · 20 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.388(lit.)
- 인화점
- 62 °F · 62 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 투명한 무색~약간 갈색
- Specific Gravity
- 0.96 · 0.960 (20/4℃)
- 수용성
- 가수 분해
- BRN
- 1098338 · 1098338
- Henry's Law Constant
- 6.4 · 6.4×10-1 mol/(m3Pa) at 25℃, Guthrie (1973)
- InChI
- 1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3
- InChIKey
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (5 of 201) of reports.
Danger
H225 (97.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 201 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethane, 1,1,1-trimethoxy-
Ethane, 1,1,1-trimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,1-trimethoxy- 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: 18-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25028
Trimethyl orthoacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (97.5%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 2
- 독성
- LD50 orally in Rabbit: > 2000 mg/kg
- HS 번호
- 29159080
- risk_code
- 11-43-38-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-37/39-24-33-26-7/9
화학 및 산업
용도 및 제조
U.S. Production2023: 700,000 - <850,000 lb
Consumer UsesIntermediate
Industry UsesSolvent
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Ethane, 1,1,1-trimethoxy-: ACTIVE
응용 분야
용도Trimethyl orthoacetate has been used in the preparation of 2-amino-9-(3-acyloxymethyl-4-alkoxycarbonyloxybut-1-yl)purines and 2-amino-9-(3-alkoxycarbonyl-oxymethyl-4-alkoxycarbonyloxybut -1-yl)purines.
일반 설명Kinetics and mechanism of gas-phase elimination of trimethyl orthoacetate has been examined over the temperature range of 310-369°C and pressure range of 50-130Torr.
상·하류 제품 정보
상류 원료
관련 반응
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