CAS 40614-27-5 4,4-Dimethylchroman (HCID 316763)

基本情報

CAS: 40614-27-5
標準SMILES: CC1(C)CCOc2ccccc21
InChIKey: IZOJLZIGCQKKKH-UHFFFAOYSA-N
分子式: C11H14O
平均分子量: 162.23 g/mol
単同位体質量: 162.10446507

名称と識別子

優先名称: 4,4-Dimethylchroman
IUPAC: 4,4-dimethyl-2,3-dihydrochromene

名称と別名

4,4-dimethylchroman40614-27-5DTXSID30311752RefChem:285031DTXCID302628764,4-dimethyl-3,4-dihydro-2H-1-benzopyran4,4-dimethyl-2,3-dihydrochromeneNSC2451274,4-dimethylchromaneSCHEMBL2632863SCHEMBL6352078SCHEMBL7223452

名称をさらに表示

SCHEMBL10408110IZOJLZIGCQKKKH-UHFFFAOYSA-NQBA61427AKOS033810317NSC-245127DB-339905EN300-214403Z1255441405

データベース識別子

CAS: 40614-27-5
PubChem CID: 316763
DTXSID: DTXSID30311752
EC Number: 139-787-1
Nikkaji: J899.893K

物性

構造計算による物性

XLogP: 3.2
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 162

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.