Sulfite

識別子と物理属性

CAS No.	14265-45-3
分子式	O3S-2
平均分子量	80.07 g/mol
単同位体質量	79.95791202 g/mol
SMILES	O=S([O-])[O-]
InChIKey	LSNNMFCWUKXFEE-UHFFFAOYSA-L
PubChem CID	1099
ChEBI	CHEBI:17359
DTXSID	DTXSID4049791

化学・物理的性質

XLogP	-1.6
極性表面積	82.4
水素結合供与体数	0
水素結合受容体数	4
回転可能結合数	0
重原子数	4
形式電荷	-2
複雑度	18.8
物質分類	Other Classes -> Sulfites

安全性と法規制

規制情報	Commission Regulation (EC) No 451/2000
有害性の概要	An estimated 5% of patients with asthma are sulfite sensitive. Following sensitization, type-I immediate hypersensitivity reactions occur after ingestion. Reactions in asthmatics may occur without evidence of type-I, Ig-E mediation. Patients may present with one or more of the following: flushing, fainting, sneezing, urticaria, angioedema, abdominal distress, bronchospasm, and anaphylaxis. [Ellenhorn, p. 1074] Occupational asthma confirmed in a water plant worker and food workers exposed to sulfites in dust or solution used as a preservative[Malo] Metabisulfites are preservatives used in wines, salad bars, fruits, juices, and shrimp. Onset of symptoms is within minutes. Common symptoms are flushing, low blood pressure, and bronchospasm. [Goldfrank, p. 676] Sulfites are among the drugs and toxins that cause bronchospasm (Table I-3) and anaphylactoid-like reactions (Table I-17). [Olson, p. 8, 28] Sulfites are not classifiable as to carcinogenicity to humans. [IARC] See Potassium metabisulfite for a documented case of occupational asthma. See agents in the category, Sulfites.
有害作用	Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.
Carcinogen Classification	SulfitesGroup 3: Not classifiable as to its carcinogenicity to humansVolume 54: (1992) Occupational Exposures to Mists and Vapours from Strong Inorganic Acidsand Other Industrial Chemicals1991

CAS No.

14265-45-3

分子式

O3S-2

平均分子量

80.07 g/mol

単同位体質量

79.95791202 g/mol

SMILES

O=S([O-])[O-]

InChIKey

LSNNMFCWUKXFEE-UHFFFAOYSA-L

PubChem CID

1099

ChEBI

CHEBI:17359

DTXSID

DTXSID4049791

XLogP

-1.6

極性表面積

82.4

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

-2

複雑度

18.8

物質分類

Other Classes -> Sulfites

安全性と法規制

規制情報

Commission Regulation (EC) No 451/2000

有害性の概要

An estimated 5% of patients with asthma are sulfite sensitive. Following sensitization, type-I immediate hypersensitivity reactions occur after ingestion. Reactions in asthmatics may occur without evidence of type-I, Ig-E mediation. Patients may present with one or more of the following: flushing, fainting, sneezing, urticaria, angioedema, abdominal distress, bronchospasm, and anaphylaxis. [Ellenhorn, p. 1074] Occupational asthma confirmed in a water plant worker and food workers exposed to sulfites in dust or solution used as a preservative[Malo] Metabisulfites are preservatives used in wines, salad bars, fruits, juices, and shrimp. Onset of symptoms is within minutes. Common symptoms are flushing, low blood pressure, and bronchospasm. [Goldfrank, p. 676] Sulfites are among the drugs and toxins that cause bronchospasm (Table I-3) and anaphylactoid-like reactions (Table I-17). [Olson, p. 8, 28] Sulfites are not classifiable as to carcinogenicity to humans. [IARC] See Potassium metabisulfite for a documented case of occupational asthma. See agents in the category, Sulfites.

有害作用

Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.

Carcinogen Classification

SulfitesGroup 3: Not classifiable as to its carcinogenicity to humansVolume 54: (1992) Occupational Exposures to Mists and Vapours from Strong Inorganic Acidsand Other Industrial Chemicals1991