1,1,1-Triethoxybutane

HCID 371779CAS 24964-76-9

기본 정보

표준 SMILES: CCCC(OCC)(OCC)OCC
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
분자식: C10H22O3
평균 분자량: 190.28 g/mol
단동위원소 질량: 190.15689456

이름 및 식별자

우선 이름: 1,1,1-Triethoxybutane
IUPAC: 1,1,1-triethoxybutane
영어명: Triethyl orthobutyrate
분자식: C10H22O3
분자량: 190.28

이름 및 동의어

1,1,1-TriethoxybutaneRefChem:409434678-319-5Triethyl Orthobutyrate24964-76-9TriethylorthobutyrateButane, 1,1,1-triethoxy-MFCD00059382NSC646223triethoxybutaneOrtho-n-butyric acid triethyl ester1,1,1-Triethoxy-butane

이름 더 보기

Triethyl butyrateethyl orthobutyrateTriethyl orthobutyraETHYL ORTHO-N-BUTYRATETriethylOrthobutyrate>Butane, 1,1,1-triethoxy-TRIETHYL ORTHO-N-BUTYRATETriethyl orthobutyrate (TEOB)

SCHEMBL1691770CHEMBL2000498Orthobutyric Acid Triethyl EsterSCHEMBL10444956DTXSID90327334ZAA964761,1,1-Triethoxybutane, AldrichCPRAKOS009159014

데이터베이스 식별자

CAS: 24964-76-9
PubChem CID: 371779
DTXSID: DTXSID90327334
ChEMBL: CHEMBL2000498
EC Number: 678-319-5
Nikkaji: J208.819C

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 13
형식 전하: 0
복잡도: 97

물리화학적 성질

끓는 점: 63 °C · 63 °C / 10mmHg
밀도: 0 · 0,88 g/cm3
굴절률: 1.404 · 1.4040-1.4080
인화점: 58 °C · 58°C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 투명한 액체
색상: 무색의
InChI: InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)(OCC)CCC

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H227 (50%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.