기본 정보
- CAS
921-20-0- 표준 SMILES
CC(O)C(CO)C(C)O- InChIKey
WPTUDAOQIXOMIQ-UHFFFAOYSA-N- 분자식
- C6H14O3
- 평균 분자량
- 134.17 g/mol
- 단동위원소 질량
- 134.0942943
이름 및 식별자
- 우선 이름
- 3-(Hydroxymethyl)pentane-2,4-diol
- IUPAC
- 3-(hydroxymethyl)pentane-2,4-diol
- 현지명
- 3-히드록시메틸펜탄-2,4-디올
- 영어명
- 3-hydroxymethylpentane-2,4-diol
- 분자식
- C6H14O3
- 분자량
- 134.17356
이름 및 동의어
3-(hydroxymethyl)pentane-2,4-diol921-20-0DTXSID30413703-Hydroxymethylpentane-2,4-diolEINECS 213-065-72,4-PENTANEDIOL, 3-(HYDROXYMETHYL)-2Z5R72DE0X3-Hydroxymethyl-2,4-pentanediolJ25.793ADTXCID10213702,4-dihydroxy-3-(hydroxymethyl)pentane3-(HYDROXYMETHYL)-2,4-PENTANEDIOL
이름 더 보기
3-히드록시메틸펜탄-2,4-디올2-(1-Hydroxyethyl)-1,3-butanediol
RefChem:495309213-065-7UNII-2Z5R72DE0X2,4-dihydroxy-3-hydroxymethylpentaneSCHEMBL344706SCHEMBL6437769SCHEMBL9318411CHEMBL3187563
데이터베이스 식별자
- CAS
921-20-0- PubChem CID
- 61234
- DTXSID
DTXSID3041370- ChEMBL
CHEMBL3187563- UNII
- 2Z5R72DE0X
- EC Number
- 213-065-7
- Nikkaji
- J25.793A
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 66
물리화학적 성질
- 끓는 점
- 286.2 · 286.2±20.0 °C(Predicted)
- 밀도
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.48 · 14.48±0.20(Predicted)
- EPA
- 2 · 2,4-Pentanediol, 3-(hydroxymethyl)- (921-20-0)
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
Regulatory InformationChemical: 2,4-Pentanediol, 3-(hydroxymethyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
규제 정보
Regulatory InformationChemical: 2,4-Pentanediol, 3-(hydroxymethyl)-
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-20673
화학 및 산업
용도 및 제조
General Manufacturing Information2,4-Pentanediol, 3-(hydroxymethyl)-: INACTIVE
공급사1 곳
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
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