1,3-프로판디올,2-(페닐메틸)-

2-Benzylpropane-1,3-diol

HCID 520241CAS 2612-30-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCC(CO)Cc1ccccc1
InChIKey: LODRGECCKZZTEQ-UHFFFAOYSA-N
분자식: C10H14O2
평균 분자량: 166.22 g/mol
단동위원소 질량: 166.09937969

이름 및 식별자

우선 이름: 2-Benzylpropane-1,3-diol
IUPAC: 2-benzylpropane-1,3-diol
현지명: 1,3-프로판디올,2-(페닐메틸)-
영어명: 1,3-Propanediol, 2-(phenylMethyl)-
분자식: C10H14O2
분자량: 166.22

이름 및 동의어

2612-30-82-benzylpropane-1,3-diolRefChem:465721839-825-32-Benzyl-1,3-propanediol1,3-Propanediol, 2-(phenylmethyl)-MFCD006663862-Benzyl-13-propanediol2-benzyl-propane-1,3-diol2-(Phenylmethyl)-1,3-propanediol2-Benzyl propane-1,3-diol2-Benzyl-1,3-propanediol #

이름 더 보기

1,3-프로판디올,2-(페닐메틸)-

SCHEMBL5161982SCHEMBL90470502-Benzyl-1 pound not3-propanediolCAA61230CS-M1742AKOS017516365SB84951CS-14499

데이터베이스 식별자

CAS: 2612-30-8
PubChem CID: 520241
EC Number: 839-825-3
Nikkaji: J803.765E

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 104

물리화학적 성질

녹는점: 68 · 68-70 °C
끓는 점: 143 · 143-145 °C(Press: 0.5 Torr)
밀도: 1.103 · 1.103±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.49 · 14.49±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 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.