Methyl 5-hexynoate

HCID 534077CAS 77758-51-1

기본 정보

표준 SMILES: C#CCCCC(=O)OC
InChIKey: LZULAZTXJLWELL-UHFFFAOYSA-N
분자식: C7H10O2
평균 분자량: 126.15 g/mol

이름 및 식별자

우선 이름: Methyl 5-hexynoate
IUPAC: methyl hex-5-ynoate
영어명: Methyl 5-hexynoate
분자식: C7H10O2
분자량: 126.15

이름 및 동의어

Methyl 5-hexynoatemethyl hex-5-ynoate77758-51-15-Hexynoic acid, methyl esterMFCD00671366Methyl 5-hexynoate #Hex-5-ynoic acid methyl esterMethyl 5-hexynoate, AldrichCPRHex-5-ynoic acid, methyl esterCDA75851AKOS022189953Methyl 5-?Hexynoate

이름 더 보기

Methyl 5-hexynoteTIMTEC-BB SBB009076Methyl 5-hexynoate,95%Methyl 5-hexynoate, 95% 5GRMETHYL 5-HEXYNOATE, 95%METHYL 5-HEXYNOATE, 95%METHYL 5-HEXYNOATE, 95%METHYL 5-HEXYNOATE, 95%

AS-57079CS-0127624C907475-hexynoic acid methyl esterBCP22814FT-0740703InChI=1/C7H10OSCHEMBL965534

데이터베이스 식별자

CAS: 77758-51-1
PubChem CID: 534077
EC Number: 688-017-5
Nikkaji: J114.210K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 129

물리화학적 성질

끓는 점: 60 °C · 60 °C
밀도: 0.96 · 0.960±0.06 g/cm3(Predicted)
굴절률: 1.434 · 1.434
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 무색~담황색 투명
InChI: InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h1H,4-6H2,2H3
InChIKey: LZULAZTXJLWELL-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCCC#C

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.