시스-크리산텐산

Chrysanthemic acid, cis-(-)-

HCID 20755CAS 15259-78-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)=C[C@@H]1[C@H](C(=O)O)C1(C)C
InChIKey: XLOPRKKSAJMMEW-HTQZYQBOSA-N
분자식: C10H16O2
평균 분자량: 168.23 g/mol
단동위원소 질량: 168.11502975

이름 및 식별자

우선 이름: Chrysanthemic acid, cis-(-)-
IUPAC: trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
현지명: 시스-크리산텐산
영어명: cis-chrysanthemic acid
분자량: 0

이름 및 동의어

(-)-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)-

이름 더 보기

시스-크리산텐산cis-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 234

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

안전 데이터

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

화학 및 산업

용도 및 제조

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

응용 분야

용도cis-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.