2,2-디메틸-3-페닐프로판산

2,2-Dimethyl-3-phenylpropanoic acid

HCID 21880CAS 5669-14-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(Cc1ccccc1)C(=O)O
InChIKey: BQHWATVEWGHHHF-UHFFFAOYSA-N
분자식: C11H14O2
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.09937969

이름 및 식별자

우선 이름: 2,2-Dimethyl-3-phenylpropanoic acid
IUPAC: 2,2-dimethyl-3-phenylpropanoic acid
현지명: 2,2-디메틸-3-페닐프로판산
영어명: 2,2-DIMETHYL-3-PHENYLPROPANOIC ACID
분자식: C11H14O2
분자량: 178.23

이름 및 동의어

2,2-dimethyl-3-phenylpropanoic acidRefChem:441352869-285-45669-14-7Benzyldimethylacetic acidMFCD017221472,2-Dimethyl-3-phenylpropionic acidalpha,alpha-Dimethylhydrocinnamic acidBenzenepropanoic acid, alpha,alpha-dimethyl-CCG-357597CS-W001040SY045932

이름 더 보기

2,2-디메틸-3-페닐프로판산α,α-Dimethylhydrocinnamic acid2-Benzyl-2-methylpropanoic acida, a-DiMethyl-benzenepropanoic acidBenzenepropanoic acid, α,α-dimethyl-2,2-dimethyl-3-phenyl-propionic acid

.beta.,.beta.-dimethylbenzenepropionic acidEN300-80388F2147-6114BRN 1943807alpha,alpha-Dimethylbenzenepropanoic acid2,2-dimethyl-3-phenylpropanoicacidAM807268HYDROCINNAMIC ACID, alpha,alpha-DIMETHYL-

데이터베이스 식별자

CAS: 5669-14-7
PubChem CID: 21880
DTXSID: DTXSID90205249
EC Number: 869-285-4
Nikkaji: J59.902F

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 59 · 59-60 °C(Solv: ligroine (8032-32-4))
끓는 점: 200 °C · 200 °C(Press: 1.5 Torr)
밀도: 1.07 · 1.070±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.73 · 4.73±0.11(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.