rel-(1R)-2,2-ジメチル-3β-(2-メチル-1-プロペニル)シクロプロパンカルボン酸

Chrysanthemic acid, cis-(-)-

HCID 20755CAS 15259-78-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)=C[C@@H]1[C@H](C(=O)O)C1(C)C
InChIKey: XLOPRKKSAJMMEW-HTQZYQBOSA-N
分子式: C10H16O2
平均分子量: 168.23 g/mol
単同位体質量: 168.11502975

名称と識別子

優先名称: Chrysanthemic acid, cis-(-)-
IUPAC: trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
現地名: rel-(1R*)-2,2-ジメチル-3β*-(2-メチル-1-プロペニル)シクロプロパンカルボン酸
英語名: cis-chrysanthemic acid
分子量: 0

名称と別名

(-)-cis-Chrysanthemic acid26771-06-2Chrysanthemic acid, cis-(-)-TFK3B71TRYcis-(-)-chrysanthemic acid(-)-cis-Chrysanthemumsaeurecis-Chrysanthemum Monocarboxylic acidEINECS 247-994-4BRN 2326292(1S-cis)-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3R)-Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S,3R)-

名称をさらに表示

rel-(1R*)-2,2-ジメチル-3β*-(2-メチル-1-プロペニル)シクロプロパンカルボン酸rel-2,2-ジメチル-3α*-(2-メチル-1-プロペニル)-1α*-シクロプロパンカルボン酸rel-(1R*)-2,2-ジメチル-3β*-(2-メチル-1-プロペニル)シクロプロパン-1β*-カルボン酸cis-クリサンテム酸cis-クリサンテマム酸rel-2α*-(2-メチル-1-プロペニル)-3,3-ジメチルシクロプロパン-1α*-カルボン酸cis-クリサンテマムモノカルボン酸cis-クリサンテマムカルボン酸cis-chrysanthemic acidcis-Chrysanthemumic acidcis-Chrysanthemum-monocarboxylic acidrel-2α*-(2-Methyl-1-propenyl)-3,3-dimethylcyclopropane-1α*-carboxylic acidrel-(1R*)-2,2-Dimethyl-3β*-(2-methyl-1-propenyl)cyclopropane-1β*-carboxylic acid

CHEBI:39105DTXSID60885370(1S,3R)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acidCHRYSANTHEMIC ACID L-CIS-FORMCYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYLPROPENYL)-, (1S-cis)-RefChem:577059DTXCID901024753

データベース識別子

CAS: 15259-78-6、26771-06-2、2935-23-1
PubChem CID: 20755
DTXSID: DTXSID60885370
ChEBI: CHEBI:39105
UNII: TFK3B71TRY
EC Number: 220-908-2、247-994-4、633-864-8
Nikkaji: J232.118A

物性

構造計算による物性

XLogP: 3.4
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 234

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)

安全データ

risk_code: 22-36/37/38-42/43
hazard_code: Xn
safety_code: 26-36

化学と産業

用途と製造

General Manufacturing InformationCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3R)-: INACTIVE

応用分野

使用cis-Chrysanthemic Acid is an intermediate in synthesizing (+)-cis-Phenothrin (P318100), an isomer of Phenothrin (P318095), which is a pesticide used in the control of pests and insects.