Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 7341생성일: 2026년 10월 27일
2-Methylvaleric acid
FEMA 2754 · FEMA NUMBER 2754 · RARECHEM AL BE 0135 · METHYLPROPYLACETIC ACID · 2-METHYL-N-VALERIC ACID · 2-METHYL-N-PENTANOIC ACID · N-PENTANE-2-CARBOXYLIC ACID
https://huagongshe.com/ko/chemical/7341
식별자 및 물리적 특성
| CAS No. | 22160-39-0 |
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| 분자식 | C6H12O2 |
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| 평균 분자량 | 116.16 g/mol |
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| 단동위원소 질량 | 116.08372962 g/mol |
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| SMILES | CCCC(C)C(=O)O |
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| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
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| PubChem CID | 7341 |
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| ChEMBL | CHEMBL1204680 |
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| ChEBI | CHEBI:167644 |
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| EC No. | 202-594-9 |
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| DTXSID | DTXSID9021633 |
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화학 및 물리적 성질
| XLogP | 1.8 |
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| 극성 표면적 | 37.3 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 3 |
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| 무거운 원자 수 | 8 |
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| 형식 전하 | 0 |
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| 복잡도 | 78.6 |
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| 물질 분류 | Other Classes -> Organic Acids |
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| 지질 | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
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| 향료 | Fragrance Ingredient (2-Methylvaleric acid) -> IFRA transparency List |
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| LogP(분배 계수) | 1.8 |
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| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 밀도 | 0.919-0.9220.931 g/mL at 25 °C(lit.) |
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| 향미제 | EU Flavoring substances |
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| 용해도 | 1 ml in 1 ml 95% alcohol (in ethanol) |
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| 끓는 점 | 196-197 °C196-197 °C(lit.) |
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| 증기압 | 0.44 [mmHg] |
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| 굴절률 | 1.411-1.416n20/D 1.414(lit.) |
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| Physical Description | Colorless liquid[Alfa Aesar MSDS]colourless to pale yellow liquid with a caramel, pungent odour |
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| 녹는점 | -85°C |
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| 인화점 | 196 °F |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.5% (24 of 1615) of reports.DangerH314 (98.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1615 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: Pentanoic acid, 2-methyl-Regulation (EC) No 1831/2003 (amended)Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/238442-Methylpentanoic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| 유해성 요약 | A mild to moderate skin irritant[RTECS] Safe when used as a flavoring agent in food[JECFA] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Skin Corr. 1C (98.5%)Skin Corr. 1B (100%) |
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| 유해 작용 | Dermatotoxin - Skin burns. |
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| 수질 위해 등급(WGK) | 3 |
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| RTECS 번호 | YV7700000 |
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| 운송 번호(UN) | UN 3265 8/PG 2 |
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| 독성 | rabbit,LD50,skin,2500mg/kg (2500mg/kg),Food and Chemical Toxicology. Vol. 20, Pg. 763, 1982. |
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| 위험 문구(R) | 34 |
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| 위험 표시 | C |
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| 안전 문구(S) | 26-36/37/39-45 |
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