CAS 80-55-7 Ethyl 2-hydroxyisobutyrate (HCID 6653)

이름 및 식별자

우선 이름: Ethyl 2-hydroxyisobutyrate
IUPAC: ethyl 2-hydroxy-2-methylpropanoate
영어명: Ethyl 2-hydroxyisobutyrate
분자식: C6H12O3
분자량: 132.16

이름 및 동의어

Ethyl 2-hydroxyisobutyrateEthyl 2-hydroxy-2-methylpropanoateEthyl 2-hydroxy-2-methylpropionateEthyl 2-methyllactateEthyl alpha-hydroxyisobutyratePropanoic acid, 2-hydroxy-2-methyl-, ethyl ester2-Methyllactic acid ethyl esterLACTIC ACID, 2-METHYL-, ETHYL ESTER2-Hydroxyisobutyric Acid Ethyl EsterEthyl .alpha.-hydroxyisobutyrateNSC 4667EINECS 201-290-3

이름 더 보기

Ethyl α-hydroxyisobuEthyl hydroxyisobtyrateEthyl hydroxyisobutyrateEthyl α-hydroxyisobutyraEthyl α-hydroxyisobutyrateEthyl 2-hydroxyisobutanoate

UNII-S1530MCV3XBRN 0878308S1530MCV3XAI3-09122NSC-46672-hydroxy-2-methylpropionic acid ethyl esterDTXSID40738854-03-00-00783 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS: 80-55-7
PubChem CID: 6653
DTXSID: DTXSID4073885
UNII: S1530MCV3X
EC Number: 201-290-3
Nikkaji: J132.714C

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 107

물리화학적 성질

녹는점: 78 °C · 78 °C
끓는 점: 150 °C · 150 °C (lit.)
밀도: 0.965 g/mL · 0.965 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.408(lit.)
인화점: 112 °F · 112 °F
저장 조건: Flammables area
산도 계수 (pKa): 13.28 · 13.28±0.29(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 878308 · 878308
InChI: InChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3
InChIKey: GFUIDHWFLMPAGY-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(O)(C)C
NIST: 2 · Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester(80-55-7)
EPA: 2 · Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester (80-55-7)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (87.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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 InformationEthyl 2-methyllactate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (87.2%)；Eye Irrit. 2A (95.7%)；STOT SE 3 (93.6%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

규제 정보

Regulatory InformationEthyl 2-methyllactate: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
rtecs: OD5672000
ridadr: UN 3272 3/PG 3
HS 번호: 29181980
risk_code: 10-36/37/38-36/38
hazard_code: Xi
safety_code: 26-36-16
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

개요Ethyl 2-hydroxyisobutyrate (E-2HIBA) has a wide range of applications in flavor and fragrance ingredients, green solvents, and pharmaceuticals. E-2HIBA has been synthesized by the batch transesterification of methyl 2-hydroxyisobutyrate with ethanol in the presence of titanium tetraethoxide (reaction conditions: 96 h, yield 97 %) and the esterification of 2-HIBA with an acid catalyst. The direct esterification of 2-HIBA with ethanol using an acid catalyst appears to be a commercially viable approach to produce E-2HIBA [1].

용도Solvent for nitrocellulose and cellulose acetate; solvent mixture for cellulose ethers, organic synthesis, pharmaceuticals.

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하류 제품

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공급사65 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

화합물 노트

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Ethyl 2-hydroxyisobutyrate

기본 정보