7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl-

HCID 12980245

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 165261-13-2
標準SMILES: CC1OCCC12NCCS2
InChIKey: OPFPLXAEUOBWQR-UHFFFAOYSA-N
分子式: C7H13NOS
平均分子量: 159.25 g/mol
単同位体質量: 159.07178504

名称と識別子

優先名称: 7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl-
IUPAC: 6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane
英語名: 7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-Methyl-
分子式: C7H13NOS
分子量: 159.25

名称と別名

6-methyl-7-oxa-1-thia-4-azaspiro[4.4]Nonane7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl-DTXSID808890527-Oxa-1-thia-4-azaspiro(4.4)nonane, 6-methyl-6-Methyl-7-oxa-1-thia-4-azaspiro(4.4)nonaneRefChem:546943DTXCID301028321165261-13-2SCHEMBL6209037AKOS017531409DB-0911502-methyltetrahydro furan-3-spiro-2'-thiazolidine

データベース識別子

CAS: 165261-13-2
PubChem CID: 12980245
DTXSID: DTXSID80889052
EC Number: 447-710-0、638-989-1
Nikkaji: J3.782.046F

物性

構造計算による物性

XLogP: 0.6
極性表面積: 46.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 142

実験および物理化学的性質

FragrancesFragrance Ingredient (6-Methyl-7oxa-1-thia-4-azaspiro(4,4)nonane) -> IFRA transparency List

物理化学的性質

EPAの化学物質情報: 7 · 7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl- (165261-13-2)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 3 件

Chemical: 7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: [No public or meaningful name is available] (EC: 447-710-0)

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

General Manufacturing Information7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl-: ACTIVE

サプライヤー2 社

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

化合物ノート

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