기본 정보
- 표준 SMILES
CCCCOCCOCC(=O)O- InChIKey
MCORDGVZLPBVJB-UHFFFAOYSA-N- 분자식
- C8H16O4
- 평균 분자량
- 176.21 g/mol
- 단동위원소 질량
- 176.10485899
이름 및 식별자
- 우선 이름
- 2-(2-Butoxyethoxy)acetic acid
- IUPAC
- 2-(2-butoxyethoxy)acetic acid
- 현지명
- (2-N-BUTOXYETHOXY)아세트산
- 영어명
- (2-n-Butoxyethoxy)acetic acid
- 분자식
- C8H16O4
- 분자량
- 176.21
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
82941-26-2- PubChem CID
- 106312
- DTXSID
DTXSID601003011- ChEBI
CHEBI:232969- EC Number
- 451-650-0、679-845-8
- Nikkaji
- J3.654.969F
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 114
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 141 °C · 141 °C / 5mmHg
- 밀도
- 1.05 · 1.05
- 굴절률
- 1.436 to · 1.4360 to 1.4400
- 저장 조건
- Refrigerator, under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 3.4 · 3.40±0.10(Predicted)
- 색상
- 무색
- InChI
- 1S/C8H16O4/c1-2-3-4-11-5-6-12-7-8(9)10/h2-7H2,1H3,(H,9,10)
- InChIKey
- MCORDGVZLPBVJB-UHFFFAOYSA-N
- SMILES
- CCCCOCCOCC(O)=O
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
Acetic acid, 2-(2-butoxyethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-(2-butoxyethoxy)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 10-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2597
Hazard Classes and Categories
Skin Corr. 1B (100%);Eye Dam. 1 (100%)
Skin Irrit. 2 (50%);Eye Dam. 1 (50%);Eye Irrit. 2 (50%)
규제 정보
Regulatory Information
Acetic acid, 2-(2-butoxyethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-(2-butoxyethoxy)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 10-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2597
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- HS 번호
- 2918.19.9000
- Hazard Classifications
- Eye Dam. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
Primary Metal Manufacturing
Acetic acid, 2-(2-butoxyethoxy)-: ACTIVE
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