Benzyl acetone (HCID 17355)

개요

4-phenylbutan-2-one is a ketone.

이름 및 식별자

우선 이름: Benzyl acetone
IUPAC: 4-phenylbutan-2-one
현지명: 벤질아세톤
영어명: Benzylacetone
분자식: C10H12O
분자량: 148.2

이름 및 동의어

Benzyl acetoneRefChem:118924BENZYLACETONE4-Phenylbutan-2-one2550-26-74-Phenyl-2-butanone4-Penylbutan-2-one2-Butanone, 4-phenyl-1-Phenyl-3-butanoneMethyl phenethyl ketonePhenethyl methyl ketoneMethyl 2-phenylethyl ketone

이름 더 보기

벤질아세톤4-페닐-2-부타논(CASNo.2550-26-7)Benzylaceton4-phenylbutanone4-phenyl-2-butanon4-methyl benzyl acetone

4-Phenyl-butan-2-oneMethyl phenylethyl ketoneMFCD00008790NSC 8132-Phenylethyl methyl ketoneNSC 44829DTXSID6033241UZM5QH16YW

데이터베이스 식별자

CAS: 2550-26-7
PubChem CID: 17355
DTXSID: DTXSID6033241
ChEMBL: CHEMBL1490851
ChEBI: CHEBI:195507
UNII: UZM5QH16YW
EC Number: 219-847-4
Nikkaji: J31.102B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 123

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Benzyl acetone) -> IFRA transparency List

Flavoring AgentsEU Flavoring substances

Physical Description · 2건

Dry Powder; Liquid; Liquid

Clear colorless liquid; [Aldrich MSDS]

물리화학적 성질

녹는점: -13 °C · -13°C
끓는 점: 235 °C · 235 °C(lit.)
밀도: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
증기압: 0.0386 hPa · 0.0386 hPa (20 °C)
굴절률: 20 · n20/D 1.512(lit.)
인화점: 209 °F · 209 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 액체
색상: 무색~담황색 투명
냄새: 100 %에서 · 100.00%에서. 꽃 발삼
냄새 유형: 꽃향기
수용성: 실질적으로 불용성
BRN: 1907123 · 1907123
화장품 원료 기능: 향수
InChI: 1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey: AKGGYBADQZYZPD-UHFFFAOYSA-N
SMILES: CC(=O)CCc1ccccc1
LogP: 2 at · 2 at 25℃
NIST: 4 · 4-Phenyl-2-butanone(2550-26-7)
EPA: 2 · 2-Butanone, 4-phenyl- (2550-26-7)

화학적 성질

has been identified as a volatile component of cocoa. Benzylacetone is a sweet-floral-smelling liquid, which can be prepared by selective hydrogenation of benzylidene acetone (from benzaldehyde and acetone). It is used in soap perfumes.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 97% (1571 of 1619) of all reports.

Not Classified

Aggregated GHS information provided per 1619 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: 2-Butanone, 4-phenyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Butanone, 4-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butanone, 4-phenyl- 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)

Status: Active Update: 08-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12477

Benzylacetone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe skin irritant; [RTECS] Can cause severe irritation or burns to skin; [Aldrich MSDS]

Hazard Classes and CategoriesNot Classified

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: EL9600000
독성: LD50 orally in Rabbit: 3200 mg/kg
HS 번호: 29143900
risk_code: 38
hazard_code: Xi
safety_code: 37-24/25
기존화학 물질: 2012-3-5426
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 550,000 - <1,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 10 consumer products that contain Benzyl Acetone in the following categories is provided:

Use ClassificationFragrance Ingredients

General Manufacturing Information · 2건

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

2-Butanone, 4-phenyl-: ACTIVE

응용 분야

용도4-Phenyl-2-butanone is an attractant compound found in the flower Nicotiana attenuata. It is also used in the preparation of 4-oxocyclohexanecarbaldehyde derivatives.

일반 설명4-Phenyl-2-butanone, a volatile aromatic ketone, is a fragrance compound present as a ubiquitous attractant in flowers.

제조 방법

Benzyl acetone is prepared by Claisen condensation of Benzaldehyde and Acetone, followed by hydrogenation of the formed Benzylidene acetone.

상·하류 제품 정보

상류 원료

하류 제품

(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one Labetalol Hydrochloride Impurity 19（(R,S)-Labetalol Hydrochloride）

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

연결된 노트

불러오는 중…

벤질아세톤

기본 정보

개요