메틸(디엘-2)부틸산

2-Methylbutanoic Acid

HCID 8314CAS 116-53-0

기본 정보

표준 SMILES
CCC(C)C(=O)O
InChIKey
WLAMNBDJUVNPJU-UHFFFAOYSA-N
분자식
C5H10O2
평균 분자량
102.13 g/mol
단동위원소 질량
102.06807956

이름 및 식별자

우선 이름
2-Methylbutanoic Acid
IUPAC
2-methylbutanoic acid
현지명
메틸(디엘-2)부틸산
영어명
Methylbutyric acid
분자식
C5H10O2
분자량
102.13

이름 및 동의어

2-Methylbutanoic acid116-53-02-METHYLBUTYRIC ACIDDL-2-Methylbutyric acidButanoic acid, 2-methyl-Ethylmethylacetic acidMethylethylacetic acid2-Methybutyric acidalpha-Methylbutyric acidFEMA No. 2695DTXSID5021621PX7ZNN5GXK
이름 더 보기
(+/-)-2-메틸뷰티르산메틸(디엘-2)부틸산2-메틸뷰티르산FEMA 2695MethylbutyricAciCARBOXYLIC ACID C5RARECHEM AL BO 0094DL-2-METHYBUTYRICACIDMETHYLETHYL ACETIC ACIDEthylmethyl-laceticacid
NSC-7304DTXCID301621CHEBI:37070RefChem:910087204-145-2209-982-7Methylbutyric acid2-Methyl butyric acid

데이터베이스 식별자

CAS
116-53-0、151687-96-6、600-07-7、9007-16-3
PubChem CID
8314
DTXSID
DTXSID5021621
ChEMBL
CHEMBL1160012
ChEBI
CHEBI:37070
UNII
PX7ZNN5GXK
EC Number
204-145-2、209-982-7
Nikkaji
J2.000A

물성

구조 계산 물성

XLogP
1.2
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

LogP1.18
Density0.932-0.936
Solubility · 2건

45 mg/mL at 20 °C

1 ml in 1 ml 95% alcohol (in ethanol)

Boiling Point · 2건

176.00 to 177.00 °C. @ 760.00 mm Hg

176 °C

Refractive Index1.404-1.408
Physical Description · 3건

Liquid

Solid

colourless to pale yellow liquid

물리화학적 성질

녹는점
-70 °C · -70°C
끓는 점
176 · 176-177 °C(lit.)
밀도
0.936 g/mL · 0.936 g/mL at 25 °C(lit.)
증기압
0.5 mm · 0.5 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.405(lit.)
FEMA
2695 · 2695 | 2-METHYLBUTYRIC ACID

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1864) of reports.

Danger

H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (99.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (> 99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (83.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1864 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 1864 reports by companies.;There are 19 notifications provided by 1863 of 1864 reports by companies with hazard statement code(s).;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 Information · 5건

Chemical: Butanoic acid, 2-methyl-

Regulation (EC) No 1831/2003 (amended)

Butanoic acid, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24166

2-Methylbutyric acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Met. Corr. 1 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Corr. 1C (100%);Eye Dam. 1 (100%)

Acute Tox. 4 (99.8%);Acute Tox. 4 (99.8%);Skin Corr. 1B (> 99.9%);Eye Dam. 1 (83.6%)

규제 정보

Regulatory Information · 5건

Chemical: Butanoic acid, 2-methyl-

Regulation (EC) No 1831/2003 (amended)

Butanoic acid, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24166

2-Methylbutyric acid: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
rtecs
EK7897000
ridadr
UN 3265 8/PG 3
risk_code
21/22-34
hazard_code
C
safety_code
26-36/37/39-45

화학 및 산업

약리 정보

Cellular LocationsExtracellular;Membrane

용도 및 제조

U.S. Production2023: 1,000,000 - <8,500,000 lb;2022: 8,500,000 - <25,000,000 lb;2021: 1,000,000 - <8,500,000 lb;2020: 1,000,000 - <8,500,000 lb
Industry UsesSolvent;Fuel agents;Intermediate
Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

Agriculture, Forestry, Fishing and Hunting;Petroleum Lubricating Oil and Grease Manufacturing;All Other Basic Organic Chemical Manufacturing

Butanoic acid, 2-methyl-: ACTIVE

상·하류 제품 정보

공급사27 곳

山西锦洋药用辅料有限公司18234787927
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

관련 반응

26건

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