기본 정보
- 표준 SMILES
CCOC(OCC)OCC- InChIKey
GKASDNZWUGIAMG-UHFFFAOYSA-N- 분자식
- C7H16O3
- 평균 분자량
- 148.2 g/mol
- 단동위원소 질량
- 148.10994437
개요
Ethyl orthoformate appears as a clear, colorless liquid with a pungent odor. Less dense than water. Vapors heavier than air. May irritate skin and eyes. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- Ethyl orthoformate
- IUPAC
- diethoxymethoxyethane
- 현지명
- 오소포름산에틸
- 영어명
- Triethyl orthoformate
- 분자식
- C7H16O3
- 분자량
- 148.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
108055-42-1、122-51-0- PubChem CID
- 31214
- DTXSID
DTXSID8041957- ChEMBL
CHEMBL1476236- UNII
- 355LRR361Q
- EC Number
- 204-550-4
- Nikkaji
- J5.533F
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 27.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 51.6
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Ethers, Other
Flammable agents - 3rd degree
Physical Description
Ethyl orthoformate appears as a clear, colorless liquid with a pungent odor. Less dense than water. Vapors heavier than air. May irritate skin and eyes. Used to make other chemicals.
Liquid
Liquid with a sweetish odor like pine needles; [Merck Index] Clear colorless liquid with a pungent odor; [CAMEO]
물리화학적 성질
- 녹는점
- -76 °C · -76 °C (lit.)
- 끓는 점
- 146 °C · 146 °C (lit.)
- 밀도
- 0.891 g/mL · 0.891 g/mL at 25 °C (lit.)
- 증기 밀도
- 5.11 · 5.11 (vs air)
- 증기압
- 2.9 mm · 2.9 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.391(lit.)
- 인화점
- 86 °F · 86 °F
- 저장 조건
- Flammables area
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 무색의
- 수용성
- 1.35 g/L · 1.35g/L
- Merck
- 14 · 14,6884
- BRN
- 605384 · 605384
- 안정성
- 수분에 민감한
- InChI
- 1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
- InChIKey
- GKASDNZWUGIAMG-UHFFFAOYSA-N
- SMILES
- CCOC(OCC)OCC
- LogP
- 1.2 at · 1.2 at 20℃
- NIST
- Ethyl orthoformate(122-51-0)
- EPA
- Ethyl orthoformate (122-51-0)
화학적 성질
Colorless liquid; pungent odor. Highly flammable. Slightly soluble in water; soluble in alcohol, ether; decomposes in water.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.3% (7 of 540) of reports.
Warning
H226 (98.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 540 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Ethane, 1,1',1''-[methylidynetris(oxy)]tris-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethane, 1,1',1''-[methylidynetris(oxy)]tris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1',1''-[methylidynetris(oxy)]tris- 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: 27-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15861
Triethyl orthoformate: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
A mild skin and moderate eye irritant; Dermal LD50 (rabbit) = 20 mL/kg; [RTECS] Not a skin sensitizer in guinea pig maximization study; No sensitization reactions observed in maximization test of 26 volunteers at 4% in petrolatum; [IUCLID] Safe when used as a flavoring agent in food; [EFSA] A mild skin irritant; [Sigma-Aldrich MSDS] See 1,1-Dimethoxyethane.
Reactivity Profile
ETHYL ORTHOFORMATE is an ether. Ethers can act as bases. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
DOT Hazard Classification
Ethyl orthoformate
UN2524
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 3 (98.7%)
Flammable liquids - Category 3
Flammable agents - 3rd degree
안전 및 보호
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RM6475000
- ridadr
- UN 2524
- 독성
- LD50 orally in rats: 7.06 g/kg (Smyth)
- HS 번호
- 29159080
- risk_code
- 10-36-36/38
- hazard_code
- Xi
- safety_code
- 16-26-37/39-36-45-36/39
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-24297
- F 고인화성물질
- 21
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
Uses
Used in chemical manufacture; [CAMEO] Used in chemical synthesis, in the paints-lacquers-varnishes industry, and as a stabilizer; [IUCLID] Used to make large scale and fine chemicals; [ECHA REACH Registrations] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Painting (Solvents) [Category: Paint]
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Ethane, 1,1',1''-[methylidynetris(oxy)]tris-: ACTIVE
응용 분야
용도Triethyl orthoformate is used in Bodroux-Chichibabin aldehyde synthesis to prepare an aldehyde with one carbon higher by reacting with Grignard reagent. It is also used in the electrophilic formylation of activated aromatic species such as phenol.
일반 설명Triethyl orthoformate is a clear, colorless liquid with a pungent odor. Less dense than water. Flash point 86°F. Vapors heavier than air. May irritate skin and eyes. Used to make other chemicals.
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