2-메틸데카노산

Decanoic acid, 2-methyl-

HCID 91167CAS 137765-21-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCCCCC(C)C(=O)O
InChIKey: SAOSCTYRONNFTC-UHFFFAOYSA-N
분자식: C11H22O2
평균 분자량: 186.29 g/mol
단동위원소 질량: 186.16197994

이름 및 식별자

우선 이름: Decanoic acid, 2-methyl-
IUPAC: 2-methyldecanoic acid
현지명: 2-메틸데카노산
영어명: 2-Methyl decanoic acid
분자식: C11H22O2
분자량: 186.29

이름 및 동의어

24323-23-7Decanoic acid, 2-methyl-EINECS 246-163-3DTXSID40884902RefChem:585481DTXCID408762662-Methyldecanoic acid2-methyl decanoic acid2-METHYLDECANOICACID2-methyl-decanoic acidMFCD00060857137765-21-0

이름 더 보기

2-메틸데카노산a-methylcapricacid2-methyl-decanoicaciDecanoicacid,2-methyl-

(+)-2-metyl decanoic acid(+)-2-methyl decanoic acidSCHEMBL276738SCHEMBL276739orb1986156SCHEMBL8145657SCHEMBL27701733DTXSID90275881

데이터베이스 식별자

CAS: 137765-21-0、24323-23-7
PubChem CID: 91167
ChEBI: CHEBI:179387
EC Number: 246-163-3
Nikkaji: J287.213G

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 8
무거운 원자 수: 13
형식 전하: 0
복잡도: 132

물리화학적 성질

끓는 점: 278.57 °C · 278.57°C (estimate)
밀도: 0.8978 · 0.8978 (rough estimate)
굴절률: 1.4221 · 1.4221 (estimate)
산도 계수 (pKa): 4.83 · 4.83±0.21(Predicted)
LogP: 4.108 · 4.108 (est)
EPA: 2 · Decanoic acid, 2-methyl- (24323-23-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.