기본 정보
- CAS
27610-92-0- 표준 SMILES
CCCCCCC(CCCC)C(=O)O- InChIKey
OARDBPIZDHVTCK-UHFFFAOYSA-N- 분자식
- C12H24O2
- 평균 분자량
- 200.32 g/mol
- 단동위원소 질량
- 200.17763
이름 및 식별자
- 우선 이름
- 2-Butyloctanoic acid
- IUPAC
- 2-butyloctanoic acid
- 현지명
- 부틸옥타노익애씨드
- 영어명
- 2-BUTYLOCTANOIC ACID
- 분자식
- C12H24O2
- 분자량
- 200.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
27610-92-0- PubChem CID
- 33970
- DTXSID
DTXSID40884907- ChEMBL
CHEMBL1789216- UNII
- 89379760R4
- EC Number
- 248-570-1
- Nikkaji
- J64.737C
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 143
물리화학적 성질
- 끓는 점
- 230 °C · 230 °C (lit.)
- 밀도
- 0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
- 증기압
- 0.007 Pa · 0.007Pa at 20℃
- 굴절률
- 20 · n20/D 1.438(lit.)
- 인화점
- 113 °C · 113 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 4.82 · 4.82±0.40(Predicted)
- 색상
- 무색
- 수용성
- 2.2 mg/L · 2.2mg/L at 20℃
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운.
- 화장품 원료 기능
- 계면활성제 - 세정계면활성제 - 유화제세척제
- InChI
- 1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
- InChIKey
- OARDBPIZDHVTCK-UHFFFAOYSA-N
- SMILES
- CCCCCCC(CCCC)C(O)=O
- LogP
- 4.33 at · 4.33 at 25℃
- EPA
- 2 · Octanoic acid, 2-butyl- (27610-92-0)
화학적 성질
Colorless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.5% (3 of 55) of reports.
Warning
H315 (70.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (70.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (70.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (23.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 55 reports by companies.;There are 3 notifications provided by 52 of 55 reports by companies with hazard statement code(s).;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: Octanoic acid, 2-butyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154
Octanoic acid, 2-butyl-: 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: Octanoic acid, 2-butyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154
Octanoic acid, 2-butyl-: 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
- 1
- tsca
- TSCA listed
- rtecs
- RH0368000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-04341
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
일반 설명2-Butyloctanoic acid is a 2-butyl-substituted carboxylic acid.
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