트라이메틸 오쏘아세트산

트라이메틸오쏘아세트산 · 트라이메틸 오쏘아세트산 · TMOA · 1,1,1-TRIMETHOXYETHANE · CH3C(OCH3)3 · orthoacetate · Ethane, 1,1,1-trimethoxy- · Methyl orthoacetate

https://huagongshe.com/ko/chemical/15050

식별자 및 물리적 특성

CAS No.	1445-45-0
분자식	C5H12O3
평균 분자량	120.15 g/mol
단동위원소 질량	120.07864424 g/mol
SMILES	COC(C)(OC)OC
InChIKey	HDPNBNXLBDFELL-UHFFFAOYSA-N
PubChem CID	15050
ChEMBL	CHEMBL3188558
EC No.	215-892-9
DTXSID	DTXSID8027400
현지명	트라이메틸 오쏘아세트산

화학 및 물리적 성질

XLogP	0.2
극성 표면적	27.7
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
SpringerMaterials Properties	Schoenflies notation
Physical Description	CBILiquid
끓는 점	107-109 °C(lit.)
밀도	0.944 g/mL at 25 °C(lit.)
증기압	20 hPa (20 °C)
굴절률	n20/D 1.388(lit.)
인화점	62 °F
저장 조건	Store below +30°C.
용해도	클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태	액체
색상	투명한 무색~약간 갈색
비중	0.960 (20/4℃)
용해도	가수 분해
BRN	1098338
헨리 상수	6.4×10-1 mol/(m3Pa) at 25℃, Guthrie (1973)
InChI	1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3
InChIKey	HDPNBNXLBDFELL-UHFFFAOYSA-N
SMILES	COC(C)(OC)OC
LogP(분배 계수)	1.13 at 25℃
NIST	Ethane, 1,1,1-trimethoxy-(1445-45-0)
EPA	Trimethyl orthoacetate (1445-45-0)

화학적 성질

CLEAR COLOURLESS TO SLIGHTLY BROWN LIQUID

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.5% (5 of 201) of reports.DangerH225 (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.
규제 정보	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/25028Trimethyl orthoacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 2 (97.5%)
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3272 3/PG 2
독성	LD50 orally in Rabbit: > 2000 mg/kg
관세 코드	29159080
위험 문구(R)	11-43-38-36/37/38
위험 표시	F,Xi
안전 문구(S)	16-37/39-24-33-26-7/9
포장분류	II
위험 등급	3Eye Irrit. 2Flam. Liq. 2Skin Sens. 1B
기존화학 물질	KE-34616
저장 분류	3 - Flammable liquids

용도

Trimethyl 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 설명

Kinetics 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.