3-Phenoxytoluene

HCID 19165CAS 3586-14-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(Oc2ccccc2)c1
InChIKey: UDONPJKEOAWFGI-UHFFFAOYSA-N
분자식: C13H12O
평균 분자량: 184.23 g/mol
단동위원소 질량: 184.088815

개요

structure given in first source

이름 및 식별자

우선 이름: 3-Phenoxytoluene
IUPAC: 1-methyl-3-phenoxybenzene
영어명: 3-Phenoxytoluene
분자식: C13H12O
분자량: 184.23

이름 및 동의어

3-Phenoxytoluene1-Methyl-3-phenoxybenzene3586-14-9m-Phenoxytoluene3-Methyldiphenyl etherPhenyl m-tolyl etherBENZENE, 1-METHYL-3-PHENOXY-m-Methylphenyl phenyl ether3-Methylphenyl phenyl etherDTXSID80275372ZZI1Z67WRDTXCID407537

이름 더 보기

C13H12O3-Phenoxytoluolphenylm-tolyl-etheMETA-PHENOXYTOLUENE3-Phenoxytoluene>PHENYL M-TOLYL ETHERPHENYL-3-TOLYL ETHER

RefChem:434240222-716-4Ether, phenyl m-tolylMFCD000085311-methyl-3-phenoxy-benzeneEther, phenyl m-tolyl-Permethrin EP Impurity AEINECS 222-716-4

데이터베이스 식별자

CAS: 3586-14-9
PubChem CID: 19165
DTXSID: DTXSID8027537
ChEMBL: CHEMBL3188057
UNII: 2ZZI1Z67WR
EC Number: 222-716-4
Nikkaji: J60.132B

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 160 °C · 160 °C
끓는 점: 271 · 271-273 °C (lit.)
밀도: 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.573(lit.)
인화점: 110 °C · >110°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 투명하고 약간 노란색
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 꽃무늬 장미 제라늄
냄새 유형: 과일 같은
BRN: 2045714 · 2045714
InChI: 1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey: UDONPJKEOAWFGI-UHFFFAOYSA-N
SMILES: Cc1cccc(Oc2ccccc2)c1
LogP: 5.043 · 5.043 (est)
EPA: m-Phenoxytoluene (3586-14-9)

화학적 성질

CLEAR VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 3건

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Benzene, 1-methyl-3-phenoxy-

Benzene, 1-methyl-3-phenoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: DA6142000
ridadr: UN 3082 9/PG III
HS 번호: 29093090
safety_code: 23-24/25
포장분류: III
위험 등급: 9
Hazard Classifications: Aquatic Chronic 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-methyl-3-phenoxy-: ACTIVE

응용 분야

용도m-Phenoxytoluene, is a Diaryl ethers, which are important intermediate of the pesticides, and are widely used in synthesis of insecticides such as pyrethroids, and fungicides such as Difenoconazole (D445370).