2,3-ジヒドロキシ-3-メチルペンタン酸

2,3-ジヒドロキシ-3-メチルペンタン酸 · 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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識別子と物理属性

CAS No.	562-43-6
分子式	C6H12O4
平均分子量	148.16 g/mol
単同位体質量	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
現地名	2,3-ジヒドロキシ-3-メチルペンタン酸

化学・物理的性質

XLogP	-0.4
極性表面積	77.8
水素結合供与体数	3
水素結合受容体数	4
回転可能結合数	3
重原子数	10
形式電荷	0
複雑度	134

安全性と法規制

GHS 分類	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%)
危険有害性情報	コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

2,3-ジヒドロキシ-3-メチルペンタン酸

CAS No.

562-43-6

分子式

C6H12O4

平均分子量

148.16 g/mol

単同位体質量

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

現地名

2,3-ジヒドロキシ-3-メチルペンタン酸

XLogP

-0.4

極性表面積

77.8

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

134

安全性と法規制

GHS 分類

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%)

危険有害性情報

コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302