chrysanthemic acid d-trans-form

ChrysantheMic Acid Chloride · 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylic acid · d-trans-Form · rans-Chrysanthemicaci · (1r-trans)-chrysanthemicacid · (+)-trans-Chrysanthemic acid · trans-(+)-Chrysanthemic acid, 99+% · (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanec...

https://huagongshe.com/ko/chemical/16747

식별자 및 물리적 특성

CAS No.	4638-92-0
분자식	C10H16O2
평균 분자량	168.23 g/mol
단동위원소 질량	168.11502975 g/mol
SMILES	CC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C
InChIKey	XLOPRKKSAJMMEW-SFYZADRCSA-N
PubChem CID	16747
ChEBI	CHEBI:39100
EC No.	211-883-9
DTXSID	DTXSID101033188

화학 및 물리적 성질

XLogP	3.4
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	234
지질	Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
농약	Environmental transformation -> Pesticide transformation products (metabolite, successor)
녹는점	17-21 °C
끓는 점	255.81°C (rough estimate)
밀도	0.9934 (rough estimate)
굴절률	n20/D 1.477
저장 조건	0-6°C
pKa(산도 계수)	4.90±0.33(Predicted)
물리적 상태	액체
색상	무색~황색으로 투명함
BRN	4904351
InChI	1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1
InChIKey	XLOPRKKSAJMMEW-SFYZADRCSA-N
SMILES	C\C(C)=C/[C@@H]1[C@@H](C(O)=O)C1(C)C
EPA	Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3R)- (4638-92-0)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.WarningH315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (97.7%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	GZ1280000
관세 코드	29162090
위험 문구(R)	36/38
위험 표시	Xi
안전 문구(S)	26
기존화학 물질	KE-05-0513
F 고인화성물질	10-23
위험 등급	Eye Irrit. 2Skin Irrit. 2
저장 분류	10 - Combustible liquids

용도

(+)-trans-Chrysanthemic Acid is a reactant in the synthesis of (1R,3R)-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (R)-2-acetoxy-3-methylbutanoate, the sex pheromone of Pseudococcus calceolariae, the citrophilous mealybug

일반 설명

(+)-trans-Chrysanthemic acid is the acidic component of synthetic pyrethroid insecticides. It can be prepared from (+)-Δ3-carene.