이소부틸산메틸에스테르

PURASORB(R) PL · Resomer L 209S · LACTEL BP-0600 · PURASORB(R) PL8 · PURASORB(R) PL6 · PURASORB(R) PL4 · PURASORB(R) PL2 · PURASORB(R) PL10

식별자 및 물리적 특성

CAS No.	26161-42-2
분자식	C5H10O2
평균 분자량	102.13 g/mol
단동위원소 질량	102.06807956 g/mol
SMILES	COC(=O)C(C)C
InChIKey	BHIWKHZACMWKOJ-UHFFFAOYSA-N
PubChem CID	11039
ChEBI	CHEBI:73689
EC No.	208-929-5
DTXSID	DTXSID5060275

XLogP	1.2
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	7
형식 전하	0
복잡도	66.5
SpringerMaterials Properties	Boiling point
향료	Fragrance Ingredient (Methyl isobutyrate) -> IFRA transparency List
식품 첨가물	FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.884-0.8881.290 g/cm3
향미제	EU Flavoring substances
용해도	1 ml in 1 ml 95% alcohol (in ethanol)
끓는 점	91.00 to 93.00 °C. @ 760.00 mm Hg90 °C
녹는점	-84.7 °C220℃
굴절률	1.382-1.386
Physical Description	Liquidcolourless liquid
저장 조건	-20°C
물리적 상태	pellets
색상	faint beige to beige
주요 응용	세포 분석
InChI	1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
InChIKey	JVTAAEKCZFNVCJ-UWTATZPHSA-N
SMILES	C[C@@H](O)C(O)=O

GHS 분류	DangerH225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1750 reports by companies from 4 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: Propanoic acid, 2-methyl-, methyl esterStatus: Active Update: 06-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25782Methyl isobutyrate: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Propanoic acid, 2-methyl-, methyl ester: Human health tier I assessment
Hazard Classes and Categories	Flam. Liq. 2 (> 99.9%)
수질 위해 등급(WGK)	3
안전 문구(S)	22-24/25
저장 분류	11 - Combustible Solids

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