Butylphthalide
기본 정보
- CAS
685886-82-2- 표준 SMILES
CCCCC1OC(=O)c2ccccc21- InChIKey
HJXMNVQARNZTEE-UHFFFAOYSA-N- 분자식
- C12H14O2
- 평균 분자량
- 190.24 g/mol
개요
Butylphthalide is a member of benzofurans.
이름 및 식별자
- 우선 이름
- Butylphthalide
- IUPAC
- 3-butyl-3H-2-benzofuran-1-one
- 영어명
- Butylphthalide impurity
- 분자식
- C12H15KO3
- 분자량
- 246.35
이름 및 동의어
Butylphthalide6066-49-53-n-Butylphthalide3-BUTYLPHTHALIDEN-butylphthalide3-Butyl-1(3H)-isobenzofuranonePhthalide, 3-butyl-1(3H)-Isobenzofuranone, 3-butyl-3-butyl-3H-2-benzofuran-1-onedl-3-n-butylphthalideFEMA No. 3334DTXSID50863687
이름 더 보기
potassium 2-(1-hydroxypentyl)benzoaten-Butylphthalide-025-KButylphthalide Impurity 253-Butylphthalide Impurity E3-Butylphthalide Impurity 24Butyphthalide Impurity(Potassium Salt)Butyphthalide impurity 22(Potassium Salt)Butylphthalide Impurity 26 Potassium SaltPotassium-Hydroxypentyl Benzoate 685886-82-2Benzoic acid, 2-(1-hydroxypentyl)-, potassium salt (1:1)
822Q956KGMbutilftalidabutylphthalidumRefChem:30840DTXCID70812273228-000-83-butylisobenzofuran-1(3H)-one3-N-BUTYLPHATHLIDE
데이터베이스 식별자
- CAS
685886-82-2- ChEMBL
CHEMBL248594- ChEBI
CHEBI:177504- UNII
- 822Q956KGM
- EC Number
- 228-000-8
- Nikkaji
- J15.116E
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 212
실험 및 물리화학적 성질
LogP
2.800
2.8
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.068-1.074
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; soluble in oil
soluble (in ethanol)
Boiling Point
177.00 to 178.00 °C. @ 15.00 mm Hg
113 °C (0.2 mm Hg)
Refractive Index1.524-1.529
Physical Descriptioncolourless, oily liquid; warm-spicy herbaceous aroma
물리화학적 성질
- 저장 조건
- 2 · 2-8°C, sealed storage, away from moisture
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 68.8% (88 of 128) of all reports.
Warning
H315 (31.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 128 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1(3H)-Isobenzofuranone, 3-butyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1(3H)-Isobenzofuranone, 3-butyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1(3H)-Isobenzofuranone, 3-butyl-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (31.2%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1(3H)-Isobenzofuranone, 3-butyl-: ACTIVE
관련 반응
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