3,5-Dimethylbenzoic acid

HCID 10356CAS 499-06-9

기본 정보

표준 SMILES: Cc1cc(C)cc(C(=O)O)c1
InChIKey: UMVOQQDNEYOJOK-UHFFFAOYSA-N
분자식: C9H10O2
평균 분자량: 150.17 g/mol
단동위원소 질량: 150.06807956

이름 및 식별자

우선 이름: 3,5-Dimethylbenzoic acid
IUPAC: 3,5-dimethylbenzoic acid
영어명: 3,5-Dimethylbenzoic acid
분자식: C9H10O2
분자량: 150.1745

이름 및 동의어

3,5-DIMETHYLBENZOIC ACID499-06-9Mesitylenic acidED8AV34N0YNSC-37562DTXSID4060101CHEBI:64821RefChem:91598DTXCID0040755207-876-5Benzoic acid, 3,5-dimethyl-3,5-Dimethylbezoic acid

이름 더 보기

3,5-Dimethyl-benzoic acidMFCD000025253,5-DimethylbenzoicacidEINECS 207-876-5NSC 37562UNII-ED8AV34N0Y3,5-Dimethyl benzoic acidm-Xylene-5-carboxylic Acid

데이터베이스 식별자

CAS: 499-06-9
PubChem CID: 10356
DTXSID: DTXSID4060101
ChEMBL: CHEMBL118239
ChEBI: CHEBI:64821
UNII: ED8AV34N0Y
EC Number: 207-876-5
Nikkaji: J6.116F

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 144

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 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.