벤조일아세톤

Benzoylacetone

HCID 7166CAS 93-91-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)CC(=O)c1ccccc1
InChIKey
CVBUKMMMRLOKQR-UHFFFAOYSA-N
분자식
C10H10O2
평균 분자량
162.18 g/mol
단동위원소 질량
162.06807956

이름 및 식별자

우선 이름
Benzoylacetone
IUPAC
1-phenylbutane-1,3-dione
현지명
벤조일아세톤
영어명
Benzoylacetone
분자식
C10H10O2
분자량
162.19

이름 및 동의어

Benzoylacetone93-91-41,3-Butanedione, 1-phenyl-Acetoacetophenone1-Benzoyl-2-propanoneAcetylbenzoylmethane2-Propanone, benzoyl-2-Acetylacetophenonealpha-AcetylacetophenoneI3RUV8U115RefChem:1187881-Phenylbutane-1,3-dione
이름 더 보기
벤조일아세톤1-페닐-1,3-부탄디온AURORA 9175A-ACETYLHYPNONE-1,3-butanedioneBenzoylpropanone
1-PHENYL-1,3-BUTANEDIONE1-Benzoylacetonebenzoyl acetoneBenzoyl-acetonMFCD000087861-phenyl-butane-1,3-dione.alpha.-AcetylacetophenoneNSC 4015

데이터베이스 식별자

CAS
93-91-4
PubChem CID
7166
DTXSID
DTXSID3021803
ChEMBL
CHEMBL3186793
UNII
I3RUV8U115
EC Number
202-286-4
Nikkaji
J4.688D

물성

구조 계산 물성

XLogP
1.6
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesBoiling point
Physical DescriptionYellow crystalline powder; [Acros Organics MSDS]

물리화학적 성질

녹는점
54 · 54-56 °C(lit.)
끓는 점
260 · 260-262°C
밀도
1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
굴절률
1.5678 · 1.5678 (estimate)
인화점
260 · 260-262°C
저장 조건
30 °C · Store below +30°C.
화학적 성질 · 1건

Benzoylacetone is a yellowish crystalline flakes or White prismatic crystals and has balsamic odor type of medium strength. M.P: 61℃. B.P: 261℃. Sp.Gr. (liquid) = 1.09. Soluble in hot water, soluble in cold alcohol and oils. Faint, but very tenacious balsamic-sweet, Vanilla-1ike odor of "oriental" fragrance type. Benzoyl acetone is widely used in cosmetic industry, as a flavour and fragrance agent.Benzoylacetone is formed together with acetophenon and benzoic acid when benzoylacetic acid is boiled with water. It is also a product of the action of sodium ethylate on a mixture of acetone and ethyl benzoate.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.

Warning

H315 (60%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1,3-Butanedione, 1-phenyl-

1,3-Butanedione, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryOral lethal-dose (rat) >500 mg/kg; [RTECS] May cause irritation; [Acros Organics MSDS] See Acetophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (60%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
EK3540200
독성
LD orl-rat: >500 mg/kg NCNSA6 5,28,53
HS 번호
29143900
safety_code
22-24/25

화학 및 산업

용도 및 제조

General Manufacturing Information1,3-Butanedione, 1-phenyl-: ACTIVE
응용 분야 · 1건

용도Benzoylacetone has been used as a 1,3-dicarbonyl compound model for studying keto-enol equilibria in aqueous acid and micellar solutions. Additionally, it has been studied using gas-phase electron diffraction and quantum chemistry. It is used as pharmaceutical intermediates.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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