2,5-Dimethylbenzaldehyde (HCID 22015)

이름 및 식별자

우선 이름: 2,5-Dimethylbenzaldehyde
IUPAC: 2,5-dimethylbenzaldehyde
현지명: 2,5-디메틸벤즈알데히드
영어명: 2,5-Dimethylbenzaldehyde
분자식: C9H10O
분자량: 134.18

이름 및 동의어

2,5-DIMETHYLBENZALDEHYDE5779-94-2Isoxylaldehyde6M224X1615DTXSID0075449RefChem:444563DTXCID4042258227-303-2Benzaldehyde, 2,5-dimethyl-MFCD00003342UNII-6M224X1615EINECS 227-303-2

이름 더 보기

2,5-디메틸벤즈알데히드25 DMBTIMTEC-BB SBB0084352,5-Dimethylbenzaldehyde-98%2,5-Dimethylbenzaldehyde,95%2,5-DIMETHYLBENZALDEHYDE 99%2,5-Dimethylbenzaldehyde Solution in Acetonitrile

SCHEMBL268706orb3023480SCHEMBL13148142,5-Dimethylbenzaldehyde, 99%CHEBI:173203SBB008435TN9539AKOS000120289

데이터베이스 식별자

CAS: 5779-94-2
PubChem CID: 22015
DTXSID: DTXSID0075449
ChEBI: CHEBI:173203
UNII: 6M224X1615
EC Number: 227-303-2
Nikkaji: J101.127H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

실험 및 물리화학적 성질

Physical DescriptionColorless to yellow liquid; [MSDSonline]

Kovats Retention Index · 3건

1154；1159；1137

1208；1208

1705；1680；1683

물리화학적 성질

끓는 점: 104.5 · 104.5-106.5 °C/14 mmHg (lit.)
밀도: 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.544(lit.)
인화점: 190 °F · 190 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
물리적 상태: 기름
색상: 무색
Specific Gravity: 0.95 · 0.95
수용성: 물과 섞이지 않습니다.
BRN: 1927303 · 1927303
InChI: 1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3
InChIKey: SMUVABOERCFKRW-UHFFFAOYSA-N
SMILES: Cc1ccc(C)c(C=O)c1
LogP: 2.56 · 2.560 (est)
NIST: 2 · Benzaldehyde, 2,5-dimethyl-(5779-94-2)
EPA: 2 · 2,5-Dimethylbenzaldehyde (5779-94-2)

화학적 성질

CLEAR COLORLESS TO VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 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.