기본 정보
- CAS
6034-46-4- 표준 SMILES
CC(=O)O[C@@H](C)C(=O)O- InChIKey
WTLNOANVTIKPEE-VKHMYHEASA-N- 분자식
- C5H8O4
- 평균 분자량
- 132.11 g/mol
- 단동위원소 질량
- 132.04225873
이름 및 식별자
- 우선 이름
- (2S)-2-(Acetyloxy)propanoic acid
- IUPAC
- (2S)-2-acetyloxypropanoic acid
- 현지명
- (S)-(-)-2-아세톡시프로피온산
- 영어명
- (S)-(-)-2-ACETOXYPROPIONIC ACID
- 분자식
- C5H8O4
- 분자량
- 132.11
이름 및 동의어
(2S)-2-(acetyloxy)propanoic acidPropanoic acid, 2-(acetyloxy)-, (2S)-RefChem:398144611-964-26034-46-4(s)-2-acetoxypropanoic acid(S)-(-)-2-Acetoxypropionic acid(-)-O-Acetyl-L-lactic aicd(-)-O-Acetyl-L-lactic AcidMFCD00191370(2S)-2-acetoxypropanoic acid(2S)-2-acetyloxypropanoic acid
이름 더 보기
(S)-(-)-2-아세톡시프로피온산L-Lactic acid acetate(S)-ACETYLLACTIC ACID(-)-2-O-Acetyl-L-lactic acid(S)-A-2-ACETOXYPROPIONIC ACID(S)-ALPHA-ACETOXYPROPIONIC ACID
(S)-2-Acetoxy-propionic acidCS-B0056AKOS015837910BP-12894(S)-2-acetoxypropionic acid(S)-2-Acetox(s)-acetoxypropionic acid(+)-Lactic acid acetate
데이터베이스 식별자
- CAS
6034-46-4- PubChem CID
- 6326324
- DTXSID
DTXSID00975744- UNII
- BBN58WBT8U
- EC Number
- 611-964-2
- Nikkaji
- J70.603E
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 129
물리화학적 성질
- 끓는 점
- 115 · 115-117 °C2 mm Hg(lit.)
- 밀도
- 1.162 g/mL · 1.162 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.422(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 0 · 0-6°C
- 산도 계수 (pKa)
- 2.74 · 2.74±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- Specific Gravity
- 1.162 · 1.162
- InChI
- InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1
- InChIKey
- WTLNOANVTIKPEE-VKHMYHEASA-N
- SMILES
- C(O)(=O)[C@@H](OC(C)=O)C
- LogP
- 0.162 · 0.162 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (92.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (92.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H330 (92.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P317, P320, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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
Regulatory InformationPropanoic acid, 2-(acetyloxy)-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (92.7%)；Acute Tox. 4 (92.7%)；Acute Tox. 2 (92.7%)
규제 정보
Regulatory InformationPropanoic acid, 2-(acetyloxy)-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- HS 번호
- 2918.23.5000
- risk_code
- 20/21/22
- hazard_code
- Xn,Xi
- safety_code
- 26-27-28-36/39
화학 및 산업
공급사93 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
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武汉问津化学科技有限公司13517196568 · [email protected]
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爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
上海朵成医药科技有限公司021-34716221 15800796336 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
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苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
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AN PharmaTech Co Ltd86(21)68097365 · [email protected]
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