chrysanthemic acid d-trans-form (HCID 16747)

개요

(+)-trans-chrysanthemic acid is a trans-chrysanthemic acid in which both stereocentres have R configuration. It is functionally related to a (R,R)-chrysanthemal. It is a conjugate acid of a (R,R)-chrysanthemate. It is an enantiomer of a (-)-trans-chrysanthemic acid.

이름 및 식별자

우선 이름: chrysanthemic acid d-trans-form
IUPAC: cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
영어명: TRANS-(+)-CHRYSANTHEMIC ACID
분자식: C10H16O2
분자량: 168.23

이름 및 동의어

(+)-trans-Chrysanthemic acidTRANS-(+)-CHRYSANTHEMIC ACIDTrans-chrysanthemic acidChrysanthemic acid d-trans-form(1R-trans)-Chrysanthemic acid(1R,3R)-chrysanthemic acid23FP207VLYEINECS 225-067-5(R,R)-chrysanthemic acidBRN 2043419(1R-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid

이름 더 보기

ChrysantheMic Acid Chloride2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylic acidd-trans-Formrans-Chrysanthemicaci(1r-trans)-chrysanthemicacidtrans-(+)-Chrysanthemic acid, 99+%(1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanec...2,2-dimethyl-3-(2-methyl-1-propenyl)-cyclopropanecarboxylicaci(1r-trans

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3R)-(+)-trans-ChrysanthemumsaeureCHEBI:39100DTXSID101033188(+)-(1R,3R)-2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R-trans)-CHRYSANTHEMIC ACID, TRANS-(+)-CHRYSANTHEMIC ACID D-TRANS-FORM [MI]

데이터베이스 식별자

CAS: 4638-92-0、705-16-8
PubChem CID: 16747
DTXSID: DTXSID101033188
ChEBI: CHEBI:39100
UNII: 23FP207VLY
EC Number: 211-883-9、225-067-5
Nikkaji: J52.428J

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

실험 및 물리화학적 성질

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점: 17 · 17-21 °C
끓는 점: 255.81 °C · 255.81°C (rough estimate)
밀도: 0.9934 · 0.9934 (rough estimate)
굴절률: 20 · n20/D 1.477
저장 조건: 0 · 0-6°C
산도 계수 (pKa): 4.9 · 4.90±0.33(Predicted)
물리적 상태: 액체
색상: 무색~황색으로 투명함
BRN: 4904351 · 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: 2 · 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

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Warning

H315 (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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: GZ1280000
HS 번호: 29162090
risk_code: 36/38
hazard_code: Xi
safety_code: 26
기존화학 물질: KE-05-0513
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

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

응용 분야

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.