2-Adamantanecarboxylic acid

HCID 303802CAS 15897-81-1

기본 정보

표준 SMILES: O=C(O)C1C2CC3CC(C2)CC1C3
InChIKey: UNGMXQVELCJRIH-UHFFFAOYSA-N
분자식: C11H16O2
평균 분자량: 180.24 g/mol
단동위원소 질량: 180.11502975

이름 및 식별자

우선 이름: 2-Adamantanecarboxylic acid
IUPAC: adamantane-2-carboxylic acid
영어명: 2-Adamantanecarboxylic acid
분자식: C11H16O2
분자량: 180.24

이름 및 동의어

15897-81-12-Adamantanecarboxylic acidRefChem:462880822-627-6Adamantane-2-carboxylic acidTricyclo[3.3.1.13,7]decane-2-carboxylic acidMFCD02738135Admantane-2-carboxylic acidAdamantane-2-carboxylicacid2-adamantanecarboxylate2-adamantyl carboxylic acid2-adamantane carboxylic acid

이름 더 보기

24. 2-adamantanecarboxylic acidAdamantane-2-carboxylic acid,95%

Oprea1_327580SCHEMBL160953SCHEMBL384602F1928-0025SCHEMBL7401851SCHEMBL7978669SCHEMBL16698251SCHEMBL19859959

데이터베이스 식별자

CAS: 15897-81-1
PubChem CID: 303802
EC Number: 822-627-6
Nikkaji: J82.460G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 218

물리화학적 성질

녹는점: 143 · 143-144.6 °C
끓는 점: 297.1 · 297.1±8.0 °C(Predicted)
밀도: 1.188 · 1.188±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.73 · 4.73±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): 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]

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 2 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 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 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.