기본 정보
- 표준 SMILES
COCCOCCOCCOC- InChIKey
YFNKIDBQEZZDLK-UHFFFAOYSA-N- 분자식
- C8H18O4
- 평균 분자량
- 178.23 g/mol
- 단동위원소 질량
- 178.12050906
개요
Triethylene glycol dimethyl ether is a clear colorless liquid with a mild ethereal odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Triglyme
- IUPAC
- 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
- 현지명
- 트리에틸렌 글리콜 디메틸 에테르
- 영어명
- Triethylene glycol dimethyl ether
- 분자식
- C8H18O4
- 분자량
- 178.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
112-49-2- PubChem CID
- 8189
- DTXSID
DTXSID8026224- ChEMBL
CHEMBL1235255- ChEBI
CHEBI:44842- UNII
- 32YXG88KK0
- EC Number
- 203-977-3
- Nikkaji
- J5.127F
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 36.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 67.5
실험 및 물리화학적 성질
Density
0.99 at 68 °F (NTP, 1992) - Less dense than water; will float
Relative density (water = 1): 0.99
0.986 @25 °C
Solubility
greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Solubility in water: miscible
Flash Point
232 °F (NTP, 1992)
111 °C o.c.
Boiling Point
421 °F at 760 mmHg (NTP, 1992)
216 °C
216 °C @760 [mm Hg]
Melting Point
-49 °F (NTP, 1992)
-45 °C
Vapor Density
4.7 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Relative vapor density (air = 1): 6.14
Vapor Pressure
0.9 mmHg at 68 °F (NTP, 1992)
0.04 [mmHg]
Vapor pressure, kPa at 20 °C: 0.12
물리화학적 성질
- 녹는점
- 45 °C · −45 °C(lit.)
- 끓는 점
- 216 °C · 216 °C(lit.)
- 밀도
- 0.986 g/mL · 0.986 g/mL at 25 °C(lit.)
- 증기 밀도
- 4.7 · >4.7 (vs air)
- 증기압
- 1.2 hPa · 1.2 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.423(lit.)
- 인화점
- 231 °F · 231 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 1000 g/l · >1000g/l 가용성
- 물리적 상태
- 액체
- 색상
- 20 · APHA: ≤20
- 수소이온지수(pH)
- 7 · 7
- 폭발한계
- 0.7 % · 0.7%(V)
- 수용성
- 녹는
- Merck
- 14 · 14,9692
- BRN
- 1700630 · 1700630
- Dielectric constant
- 7.5 · 7.5
- 주요 응용
- 환경
- InChI
- 1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
- InChIKey
- YFNKIDBQEZZDLK-UHFFFAOYSA-N
- SMILES
- COCCOCCOCCOC
- LogP
- -0.52 at · -0.52 at 20℃
- 표면장력
- 27.56 mN/m · 27.56mN/m at 298.15K
- NIST
- 2 · 2,5,8,11-Tetraoxadodecane(112-49-2)
- EPA
- Triethylene glycol dimethyl ether (112-49-2)
화학적 성질
Water-white liquid; mild ether odor. D 0.9862 (20/20C), refr index 1.4233 (20C), flash p 232F (111C), bp 216.0C (760mmHg), 153.6C (100 mm Hg), fp 46C. Completely soluble in water and hydrocarbons at 20C. May contain peroxides. Combustible.
안전 및 규제
GHS 분류
GHS Classification
Danger
H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H319 (22.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 2,5,8,11-Tetraoxadodecane
Hazard Traits - Reproductive Toxicity
S - indicates a substance that is identified in a final Significant New Use Rule.
Status: Active Update: 04-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10247
Substance: 1,2-bis(2-methoxyethoxy)ethane (TEGDME; triglyme)
Triethylene glycol dimethyl ether: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
This chemical is combustible. (NTP, 1992)
Combustible.
Hazards Summary
May have adverse effects on human reproduction, based on animal studies; [ICSC] Labeled as May impair fertility and May cause harm to the unborn child by EU regulations; [Glycol Ethers Online] Prolonged contact with air can form explosive peroxides; [CAMEO] A skin and eye irritant; [NTP] May form explosive peroxides; An irritant; May cause impaired fertility and fetal toxicity; [Alfa Aesar MSDS] See Monoglyme.
Reactivity Profile
TRIETHYLENE GLYCOL DIMETHYL ETHER forms explosive peroxides on prolonged exposure to air. Its decomposition products may be sensitive to shock. The bulk chemical is stable for 2 weeks at temperatures up to 140 °F when protected from light. This chemical is incompatible with strong oxidizers. It is also incompatible with strong acids. It may react with peroxides, oxygen, nitric acid and sulfuric acid. (NTP, 1992).
Hazard Classes and Categories
Eye Irrit. 2 (22.6%)
Reproductive toxicity - category 1B
Reproductive toxicity - Category 2
Repr. 1B
안전 및 보호
Fire Fighting
Fires involving this material can be controlled with a carbon dioxide, dry chemical or Halon extinguisher. A water spray may also be used. (NTP, 1992)
Use water spray, foam, powder, carbon dioxide.
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink.
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XF0665000
- 독성
- LD50 orally in Rabbit: 5390 mg/kg
- HS 번호
- 29094990
- risk_code
- 61-19-62
- hazard_code
- T
- safety_code
- 53-45
- 기존화학 물질
- KE-33642
- F 고인화성물질
- 3
- 자연 발화 온도
- 375 °F
- Hazard Classifications
- Eye Irrit. 2Repr. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 중점관리물질 필터링
- 별표1-66
화학 및 산업
용도 및 제조
응용 분야
용도Triethylene glycol dimethyl ether is used as a solvent for gases and coupling immiscible liquid. It is also used to prepare perfluoro-triethyleneglycoldimethylether.
상·하류 제품 정보
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A polyether that consists of dodecane in which the carbon atoms at positions 2, 5, 8 and 11 are replaced by oxygen atoms.
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