발레르산,2,3-디하이드록시-3-메틸-

발레르산,2,3-디하이드록시-3-메틸- · Dexpanthenol Impurity 25 · α,β-dihydroxy-β-methylvalerate · 2,3-Dihydroxy-3-methylpentanoate · 2,3-Dihydroxy-3-methylpentanoic acid · valeric acid, 2,3-dihydroxy-3-methyl- · Pentonic acid, 4,5-dideoxy-3-C-methyl-

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식별자 및 물리적 특성

CAS No.	562-43-6
분자식	C6H12O4
평균 분자량	148.16 g/mol
단동위원소 질량	148.07355886 g/mol
SMILES	CCC(C)(O)C(O)C(=O)O
InChIKey	PDGXJDXVGMHUIR-UHFFFAOYSA-N
PubChem CID	8
ChEBI	CHEBI:882
EC No.	852-567-6
DTXSID	DTXSID00971589
현지명	발레르산,2,3-디하이드록시-3-메틸-

화학 및 물리적 성질

XLogP	-0.4
극성 표면적	77.8
수소 결합 공여자 수	3
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	10
형식 전하	0
복잡도	134

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
신호 어	Warning
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

발레르산,2,3-디하이드록시-3-메틸-

CAS No.

562-43-6

분자식

C6H12O4

평균 분자량

148.16 g/mol

단동위원소 질량

148.07355886 g/mol

SMILES

CCC(C)(O)C(O)C(=O)O

InChIKey

PDGXJDXVGMHUIR-UHFFFAOYSA-N

PubChem CID

ChEBI

CHEBI:882

EC No.

852-567-6

DTXSID

DTXSID00971589

현지명

발레르산,2,3-디하이드록시-3-메틸-

XLogP

-0.4

극성 표면적

77.8

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

134

안전 및 규제

GHS 분류

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

신호 어

Warning

유해·위험 문구

암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302