기본 정보
- CAS
7580-85-0- 표준 SMILES
CC(C)(C)OCCO- InChIKey
BDLXTDLGTWNUFM-UHFFFAOYSA-N- 분자식
- C6H14O2
- 평균 분자량
- 118.17 g/mol
- 단동위원소 질량
- 118.09937969
이름 및 식별자
- 우선 이름
- 2-(Tert-butoxy)ethan-1-ol
- IUPAC
- 2-[(2-methylpropan-2-yl)oxy]ethanol
- 현지명
- 에틸렌글리콜 터트-부틸에터
- 영어명
- ETHYLENE GLYCOL MONO-TERT-BUTYL ETHER
- 분자식
- C6H14O2
- 분자량
- 118.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
7580-85-0- PubChem CID
- 24232
- DTXSID
DTXSID4073384- EC Number
- 456-140-1、616-267-7
- Nikkaji
- J49.824F
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 54
물리화학적 성질
- 끓는 점
- 152 °C · 152 °C
- 밀도
- 0 · 0,9 g/cm3
- 굴절률
- 1.416 to · 1.4160 to 1.4190
- 인화점
- 55 °C · 55°C
- 저장 조건
- Sealed in dry,Room Temperature
- 수용성
- Completely miscible in water
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 14.44 · 14.44±0.10(Predicted)
- 색상
- 무색 내지 거의 무색
- InChI
- InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3
- InChIKey
- BDLXTDLGTWNUFM-UHFFFAOYSA-N
- SMILES
- C(O)COC(C)(C)C
- EPA
- 2 · Ethanol, 2-(1,1-dimethylethoxy)- (7580-85-0)
화학적 성질
Colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (71.4%): Flammable liquid and vapor [Warning Flammable liquids];H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (28.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and Categories
Flam. Liq. 3 (71.4%);Acute Tox. 4 (28.6%);Skin Irrit. 2 (42.9%);Eye Irrit. 2A (42.9%);STOT SE 3 (42.9%);STOT RE 2 (28.6%)
Flam. Liq. 3 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (100%);Acute Tox. 3 (100%);STOT SE 3 (100%);STOT RE 1 (100%)
Flammable liquids - Category 3;Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects);Specific target organ toxicity - Repeated exposure - Category 1 (blood system)
규제 정보
안전 데이터
- rtecs
- KJ8750000
- ridadr
- 3271
- HS 번호
- 2909498090
- risk_code
- 10-36/37/38
- safety_code
- 26-36/37/39
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- 2003-3-2260
화학 및 산업
응용 분야
용도2-(1,1-Dimethylethoxy)ethanol is used in the preparation of potent and selective NPY5 receptor antagonists. Also used in the synthesis of PDE5 inhibitors, used to block the degradative action of phosphodiesterase 5.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
관련 반응
화합물 노트
불러오는 중…