기본 정보
- 표준 SMILES
CCOCCCO- InChIKey
XHMWPVBQGARKQM-UHFFFAOYSA-N- 분자식
- C5H12O2
- 평균 분자량
- 104.15 g/mol
- 단동위원소 질량
- 104.08372962
개요
3-ethoxy-1-propanol appears as a clear colorless liquid, with a mild odor. Less dense than water. Contact may slightly irritate skin, eyes and mucous membranes.
이름 및 식별자
- 우선 이름
- 3-Ethoxy-1-propanol
- IUPAC
- 3-ethoxypropan-1-ol
- 현지명
- 3-에톡시프로판올
- 영어명
- 3-Ethoxy-1-propanol
- 분자식
- C5H12O2
- 분자량
- 104.15
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
111-35-3- PubChem CID
- 8109
- DTXSID
DTXSID4073124- ChEBI
CHEBI:87489- UNII
- 28V3RKF4Z1
- EC Number
- 203-861-2
- Nikkaji
- J35.196B
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 29.3
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -90 °C · -90°C (estimate)
- 끓는 점
- 160 · 160-161 °C(lit.)
- 밀도
- 0.904 g/mL · 0.904 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.417(lit.)
- 인화점
- 130 °F · 130 °F
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- liquid
- 산도 계수 (pKa)
- 14.9 · 14.90±0.10(Predicted)
- Specific Gravity
- 0.904 · 0.904
- 냄새
- 과일
- 수용성
- 18 · 18 º, >=10g/100mL
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
- InChIKey
- XHMWPVBQGARKQM-UHFFFAOYSA-N
- SMILES
- CCOCCCO
- NIST
- 1 · 1-Propanol, 3-ethoxy-(111-35-3)
- EPA
- 3 · 3-Ethoxy-1-propanol (111-35-3)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Reactivity Profile
3-ETHOXY-1-PROPANOL is an ethoxy-alcohol derivative. The ether is relatively unreactive. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert alcohols to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
안전 및 보호
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 spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, 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.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- wgk
- 3
- rtecs
- UB5075000
- ridadr
- UN 1987 3/PG 3
- HS 번호
- 2909498090
- risk_code
- 10-20/21/22-36
- hazard_code
- Xn
- safety_code
- 16-26-36/37/39
- 포장분류
- III
- 위험 등급
- 3.2
- 기존화학 물질
- KE-13478
- Hazard Classifications
- Acute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
일반 설명A clear colorless liquid, with a mild odor. Less dense than water. Contact may slightly irritate skin, eyes and mucous membranes.
상·하류 제품 정보
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A hydroxyether that is propan-1-ol substituted by an ethoxy group at position 3.
관련 반응
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