CAS 7774-79-0 4-(p-Tolyl)-2-butanone (HCID 5463908)

이름 및 식별자

우선 이름: 4-(p-Tolyl)-2-butanone
IUPAC: 4-(4-methylphenyl)butan-2-one
현지명: 2-부타논,4-(4-메틸페닐)-
영어명: 2-Butanone, 4-(4-methylphenyl)-
분자식: C11H14O
분자량: 162.23

이름 및 동의어

4-(4-Methylphenyl)-2-butanone7774-79-02-Butanone, 4-(4-methylphenyl)-4-(p-Tolyl)-2-butanone4-(4-Tolyl)-2-butanone2-Butanone, 4-p-tolyl-p-MethylbenzylacetoneFEMA No. 3074Methylbenzylacetone, p-UNII-B98IK70Y98B98IK70Y98AI3-20955

이름 더 보기

2-부타논,4-(4-메틸페닐)-4-(PARA-TOLYL)-2-BUTANONEPARA-METHYLBENZYLACETONE

DTXSID002283634-(P-TOLYL)-2-BUTANONE [FHFI]RefChem:97552DTXCID20150854616-497-84-(p-Tolyl)butan-2-one4-(4-methylphenyl)butan-2-oneMFCD00156655

데이터베이스 식별자

CAS: 7774-79-0
PubChem CID: 5463908
DTXSID: DTXSID00228363
UNII: B98IK70Y98
EC Number: 616-497-8
Nikkaji: J1.536.526I

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 143

실험 및 물리화학적 성질

Density0.981-0.988

Solubility · 3건

very slightly

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point · 2건

243.00 to 244.00 °C. @ 760.00 mm Hg

251 °C

Refractive Index1.503-1.508

Physical Descriptioncolourless oily liquid with a sweet, fruity-floral odour

물리화학적 성질

FEMA: 3074 · 3074 | 4-(P-TOLYL)-2-BUTANONE
저장 조건: 2 · 2-8°C
용해도: Very slightly soluble in water, soluble in alcohol and oils
물리적 상태: oily liquid
색상: Colorless
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 아주 달콤한 과일향이 나는 꽃무늬 라즈베리 자두 치자나무
냄새 유형: 과일 같은
JECFA Number: 817 · 817
LogP: 2.13 · 2.13

화학적 성질

4-(p-Tolyl)-2-butanone has a very sweet, fruity, floral odor with raspberry, plum and gardenia notes. It has an intense, sweet, deep, fruit flavor. Its use as an insect attractant has been extensively studied.

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Butanone, 4-(4-methylphenyl)-

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

2-Butanone, 4-(4-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

규제 정보

Regulatory Information · 3건

Chemical: 2-Butanone, 4-(4-methylphenyl)-

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

2-Butanone, 4-(4-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

HS 번호: 2914390090

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야 · 1건

용도4-(p-Tolyl)-2-butanone finds some use in flavor compositions as a modifier in Raspberry and other fruit imitation flavors, often as a partial substitute for para- Met hox yphen ylbutanone, which is sweeter but milder, and other, related chemicals. It could be used in Mimosa, Rose, Gardenia and other sweet-floral fragrances, variations of Jasmin, or in combination with Ionones in the conventional type lipstick fragrance