(R)-(+)-2-벤질록시프로피온산

(2R)-2-phenylmethoxypropanoic acid

HCID 7000104

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 100836-85-9
표준 SMILES: C[C@@H](OCc1ccccc1)C(=O)O
InChIKey: XWAVPOFYNPXXEL-MRVPVSSYSA-N
분자식: C10H12O3
평균 분자량: 180.2 g/mol
단동위원소 질량: 180.07864424

이름 및 식별자

우선 이름: (2R)-2-phenylmethoxypropanoic acid
IUPAC: (2R)-2-phenylmethoxypropanoic acid
현지명: (R)-(+)-2-벤질록시프로피온산
영어명: (R)-(+)-2-BENZYLOXYPROPIONIC ACID
분자식: C10H12O3
분자량: 180.2

이름 및 동의어

(2R)-2-phenylmethoxypropanoic acidRefChem:397287628-833-0100836-85-9(R)-2-(benzyloxy)propanoic acid(R)-(+)-2-BENZYLOXYPROPIONIC ACID(2R)-2-(benzyloxy)propanoic acidPropanoic acid, 2-(phenylmethoxy)-, (2R)-MFCD06799065(R)-2-(benzyloxy)propanoicacidO-Benzyl-D-lactic acid(2R)-2-(benzyloxy)propionic acid

이름 더 보기

(R)-(+)-2-벤질록시프로피온산(R)-(+)-O-Benzyllactic acid(R)-2-(Benzyloxy)propanoic acid ee(R)-(+)-2-(Benzyloxy)propionic acid[>=97.0% (HPLC)]

(r)-benzyloxypropionic acidSCHEMBL138280SCHEMBL3364446(2R)-2-benzyloxypropanoic acid(R)-2-benzyloxy-propionic acidDTXSID00426463XWAVPOFYNPXXEL-MRVPVSSYSA-NAEA83685

데이터베이스 식별자

CAS: 100836-85-9
PubChem CID: 7000104
DTXSID: DTXSID00426463
EC Number: 628-833-0
Nikkaji: J1.485.091K

물성

구조 계산 물성

XLogP: 1.6
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: 162

물리화학적 성질

녹는점: 52 · 52-55 °C
끓는 점: 328.2 · 328.2±17.0 °C(Predicted)
밀도: 1.15 · 1.150
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.57 · 3.57±0.10(Predicted)
수용성: 물에 불용성.
BRN: 4675524 · 4675524
InChI: InChI=1S/C10H12O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey: XWAVPOFYNPXXEL-MRVPVSSYSA-N
SMILES: C(O)(=O)[C@H](OCC1=CC=CC=C1)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (90.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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%)；Skin Sens. 1 (90.9%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36/37

화학 및 산업

응용 분야

용도(R)-(+)-2-Benzyloxypropionic acid is used as a pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

Oxazolidine, 4-phenyl-2-(trifluoromethyl)-, (2S,4R)-(S)-(-)-2-Chloropropionic acid 메틸(R)-2-(벤질옥시)프로피오네이트 벤질 알코올 수산화칼륨 물 메틸알콜

공급사69 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

上海有米得科技有限公司18964944463 · [email protected]

화합물 노트

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