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Isopropyl Phenylacetate

HCID 62553
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
4861-85-2
표준 SMILES
CC(C)OC(=O)Cc1ccccc1
InChIKey
SSMBXPJYHMZLOJ-UHFFFAOYSA-N
분자식
C11H14O2
평균 분자량
178.23 g/mol
단동위원소 질량
178.09937969

개요

Isopropyl phenylacetate is a clear pale yellow liquid. (NTP, 1992)

이름 및 식별자

우선 이름
Isopropyl Phenylacetate
IUPAC
propan-2-yl 2-phenylacetate
영어명
Isopropyl phenylacetate
분자식
C11H14O2
분자량
178.23

이름 및 동의어

Isopropyl phenylacetatepropan-2-yl 2-phenylacetateBenzeneacetic acid, 1-methylethyl esterBenzeneacetic acid 1-methylethyl ester1-Methylethyl benzeneacetateFEMA No. 2956Acetic acid, phenyl-, isopropyl esterDTXSID1025483UNII-A8L7NAJ0YOA8L7NAJ0YOEINECS 225-468-5Phenylacetic acid, isopropyl ester
이름 더 보기
FEMA 2956ISOPROPYLYPHENYL ACETATE4-Isopropylyphenyl AcetateIsopropylphenylacetate,98%propan-2-yl 2-phenylethanoateISOPROPYL PHENYLACETATE 99+%Isopropyl phenylacetate USP/EP/BP
ISOPROPYL BENZENEACETATEDTXCID905483ISOPROPYL PHENYLACETATE [FHFI]RefChem:149834225-468-5SSMBXPJYHMZLOJ-UHFFFAOYSA-N4861-85-2Isopropyl 2-phenylacetate

데이터베이스 식별자

CAS
4861-85-2
PubChem CID
62553
DTXSID
DTXSID1025483
ChEMBL
CHEMBL1449867

물성

구조 계산 물성

XLogP
2.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
13
형식 전하
0
복잡도
157

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2건

1.3 at 70.7 °F (NTP, 1992) - Denser than water; will sink

1.006-1.012 (20 °C)

Flavoring AgentsEU Flavoring substances
Solubility · 3건

less than 1 mg/mL at 68.9 °F (NTP, 1992)

Insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Flash Point203 °F (NTP, 1992)
Boiling Point · 3건

486 to 489 °F at 760 mmHg (NTP, 1992)

157.00 to 165.00 °C. @ 12.00 mm Hg

238-253 °C

Refractive Index1.483-1.491
Physical Description · 2건

Isopropyl phenylacetate is a clear pale yellow liquid. (NTP, 1992)

Colourless liquid; powerful ethereal or winey-honey-like, sweet odour

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Regulatory Information · 3건

Chemical: Benzeneacetic acid, 1-methylethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Benzeneacetic acid, 1-methylethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzeneacetic acid, 1-methylethyl ester: Human health tier I assessment
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This chemical does not present a serious hazard in normal use. However, it should be borne in mind that the toxicological and physiological properties are not yet well defined. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1건

ISOPROPYL PHENYLACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesNot Classified

화학 및 산업

약리 정보

Cellular LocationsMembrane

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

General Manufacturing InformationBenzeneacetic acid, 1-methylethyl ester: ACTIVE

응용 분야

개요Isopropyl phenylacetate has a fragrant, rose-like scent and a sweet, honey-like flavor with a wine undertone.

일반 설명Clear pale yellow liquid.

공급사28 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
梯希爱(上海)化工贸易有限公司

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEBI
CHEBI:173835
UNII
A8L7NAJ0YO
EC Number
225-468-5
Nikkaji
J260.915K

물리화학적 성질

녹는점
25 · 25-27 °C
끓는 점
157 · 157-165 °C12 mm Hg(lit.)
밀도
1.001 g/mL · 1.001 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.488(lit.)
FEMA
2956 · 2956 | ISOPROPYL PHENYLACETATE
인화점
225 °F · 225 °F
냄새
100 %에서 · 100.00%에서. 달콤한 인동덩굴 가루 덩굴
냄새 유형
꽃향기
JECFA Number
1011 · 1011
BRN
1866839 · 1866839
안정성
안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운.
화장품 원료 기능
향수
LogP
2.774 · 2.774 (est)
EPA
1 · Benzeneacetic acid, 1-methylethyl ester (4861-85-2)

화학적 성질

Isopropyl phenylacetate has a fragrant, rose-like scent; sweet, honey-like flavor with a wine undertone

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
safety_code
24/25
021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]