3-(p-Methoxyphenyl)propionic acid (HCID 95750)

이름 및 식별자

우선 이름: 3-(p-Methoxyphenyl)propionic acid
IUPAC: 3-(4-methoxyphenyl)propanoic acid
영어명: 3-(4-Methoxyphenyl)propionic acid
분자식: C10H12O3
분자량: 180.2

이름 및 동의어

EINECS 217-678-0NSC 51509NSC 33134NSC 134095RefChem:495792217-678-03-(p-methoxyphenyl)propionic acid1929-29-93-(4-Methoxyphenyl)propionic acid3-(4-Methoxyphenyl)propanoic acidBenzenepropanoic acid, 4-methoxy-p-Methoxyhydrocinnamic acid

이름 더 보기

AKOS NCG-0018RARECHEM AL BO 0344TIMTEC-BB SBB0037484-Methoxyphenylpropiinic Acid3-(4-methoxyphenyl)propanoate4-Methoxybenzenepropanoic acid

4-Methoxyhydrocinnamic acidMFCD000027773-(4-Methoxy-phenyl)-propionic acidHydrocinnamic acid, p-methoxy-3-(4-methoxyphenyl)-propionic acidBBL0021593-(4-Methoxyphenyl)propionic acid, 98%EN300-21051

데이터베이스 식별자

CAS: 1929-29-9、25173-37-9
PubChem CID: 95750
DTXSID: DTXSID20871855
ChEMBL: CHEMBL1738950
EC Number: 217-678-0
Nikkaji: J149.917C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 98 · 98-100 °C (lit.)
끓는 점: 194 °C · 194 °C / 15mmHg
밀도: 1.144 · 1.144±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.71 · 4.71±0.10(Predicted)
색상: White to Light yellow to Light orange
BRN: 1953326 · 1953326
InChI: InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
InChIKey: FIUFLISGGHNPSM-UHFFFAOYSA-N
SMILES: C1(CCC(O)=O)=CC=C(OC)C=C1
NIST: 3 · 3-(4-Methoxyphenyl)propionic acid(1929-29-9)

화학적 성질

White tolight beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

안전 데이터

wgk: 3
HS 번호: 29189900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-(4-Methoxyphenyl)propionic acid is a nutrient solution that can be used to inhibit microbial growth by binding to the active site of enzymes such as carbonyl group, formation rate, acidic ph, chlorogenic acids, cinnamic acid derivatives.