기본 정보
- 표준 SMILES
CCOc1ccccc1C(=O)O- InChIKey
XDZMPRGFOOFSBL-UHFFFAOYSA-N- 분자식
- C9H10O3
- 평균 분자량
- 166.17 g/mol
- 단동위원소 질량
- 166.06299418
이름 및 식별자
- 우선 이름
- 2-Ethoxybenzoic acid
- IUPAC
- 2-ethoxybenzoic acid
- 현지명
- 2-에톡시벤조산
- 영어명
- 2-Ethoxybenzoic acid
- 분자식
- C9H10O3
- 분자량
- 166.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
134-11-2- PubChem CID
- 67252
- DTXSID
DTXSID3059638- ChEMBL
CHEMBL4303266- UNII
- 5IN9FDI7TT
- EC Number
- 205-130-3
- Nikkaji
- J134.740C
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 156
물리화학적 성질
- 녹는점
- 19.3 · 19.3-19.5 °C (lit.)
- 끓는 점
- 174 · 174-176 °C/15 mmHg (lit.)
- 밀도
- 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
- 증기압
- 0.281 Pa · 0.281Pa at 25℃
- 굴절률
- 20 · n20/D 1.54(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 95 % · 95% 에탄올: 가용성 5%, 투명, 무색~노란색
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 1 · pK1:4.21 (20°C)
- Specific Gravity
- 1.105 · 1.105
- 색상
- White or Colorless to Light yellow to Light orange
- 수용성
- 물에 용해됩니다.
- BRN
- 2691039 · 2691039
- InChI
- 1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChIKey
- XDZMPRGFOOFSBL-UHFFFAOYSA-N
- SMILES
- CCOc1ccccc1C(O)=O
- LogP
- 1.295 at · 1.295 at 25℃
- NIST
- 2 · Benzoic acid, 2-ethoxy-(134-11-2)
- EPA
- 2 · Benzoic acid, 2-ethoxy- (134-11-2)
화학적 성질
Pale yellow low melting solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (78.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): 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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 6 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
Regulatory Information
Chemical: Benzoic acid, 2-ethoxy-
Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884;Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828
Benzoic acid, 2-ethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
규제 정보
Regulatory Information
Chemical: Benzoic acid, 2-ethoxy-
Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884;Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828
Benzoic acid, 2-ethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29189900
- risk_code
- 36/37/38-26-22
- hazard_code
- Xi,T
- safety_code
- 23-24/25-45-36/37-28-26
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-13340
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도2-Ethoxybenzoic acid is used in thermally induced solvent-free reactions of triphenylbismuth with a series of thiols and carboxylic acids. It serves as an active component of dental cement. Further, it prevents the entry of root-canal pathogens into periapical regions.
일반 설명2-Ethoxybenzoic acid is dental cement. It is root-end filling material and prevents the entry of root-canal pathogens into periapical regions.
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