基本情報
- CAS
3658-80-8- 標準SMILES
CSSSC- InChIKey
YWHLKYXPLRWGSE-UHFFFAOYSA-N- 分子式
- C2H6S3
- 平均分子量
- 126.3 g/mol
- 単同位体質量
- 125.96316371
概要
Dimethyl trisulfide is an organic trisulfide.
名称と識別子
- 優先名称
- Dimethyl trisulfide
- IUPAC
- (methyltrisulfanyl)methane
- 現地名
- ジメチルトリスルフィド
- 英語名
- Dimethyl trisulfide
- 分子式
- C2H6S3
- 分子量
- 126.26
名称と別名
Dimethyl trisulfide3658-80-8Trisulfide, dimethylMethyl trisulfide(methyltrisulfanyl)methanedimethyltrisulfane2,3,4-TrithiapentaneFEMA No. 32753E691T3NL1NSC-97324DTXSID9063118RefChem:588335
名称をさらに表示
ジメチルトリスルフィドジメチルペルトリスルフィドジメチルトリスルファン三硫化メチルFEMA 3275DiMethyl trisulfur
DTXCID2039201222-910-9DIMETHYLTRISULFIDEDimethyl trisulphideDMTS1,3-DimethyltrisulfaneCH3SSSCH3MFCD00039808
データベース識別子
- CAS
3658-80-8- PubChem CID
- 19310
- DTXSID
DTXSID9063118- ChEBI
CHEBI:4614- UNII
- 3E691T3NL1
- EC Number
- 222-910-9
- Nikkaji
- J45.900C
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 75.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 12.4
実験および物理化学的性質
SpringerMaterials PropertiesSchoenflies notation
FragrancesFragrance Ingredient (Dimethyl trisulfide) -> IFRA transparency List
LogP1.94
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.195-1.210
Flavoring AgentsEU Flavoring substances
Solubility
very slightly soluble in water; soluble in alcohols, propylene glycol and oils
(in ethanol)
Boiling Point165-170 °C; 41 °C (6 mm Hg)
Melting Point-85 °C
Refractive Index1.595-1.605
Physical Description
Liquid
pale yellow liquid with powerful odour
物理化学的性質
- 融点
- 68 °C · −68 °C(lit.)
- 沸点
- 58 °C15 · 58 °C15 mm Hg(lit.)
- 比重(密度)
- 1.202 g/mL · 1.202 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.602(lit.)
- FEMA
- 3275 · 3275 | DIMETHYL TRISULFIDE
- 闪点
- 133 °F · 133 °F
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Chloroform (Sparingly), Methanol (Slightly)
- 外見
- 液体
- 色
- クリアイエロー
- 臭い (Odor)
- 0.1 %。硫黄で調理したタマネギの風味豊かな肉 · プロピレングリコール中0.10%。硫黄で調理したタマネギの風味豊かな肉
- においのタイプ
- ニンニクっぽい
- 由来生物
- synthetic
- 水溶解度
- 水に不溶。
- JECFA Number
- 582 · 582
- BRN
- 1731604 · 1731604
- Henry's Law Constant
- 1.2 · 1.2×10-2 mol/(m3Pa) at 25℃, Plyasunova et al. (2004)
- 主な用途
- フレーバーそして香料
- InChI
- 1S/C2H6S3/c1-3-5-4-2/h1-2H3
- InChIKey
- YWHLKYXPLRWGSE-UHFFFAOYSA-N
- SMILES
- CSSSC
- LogP
- 2.93 · 2.93
- CAS データベース
- 3658 · 3658-80-8(CAS DataBase Reference)
- NISTの化学物質情報
- Trisulfide, dimethyl(3658-80-8)
- EPAの化学物質情報
- Trisulfide, dimethyl (3658-80-8)
化学的性質
化学的特性Dimethyl trisulfide has a powerful, diffusive, penetrating odor reminiscent of fresh onion
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H226 (11.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1509 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Trisulfide, dimethyl
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Trisulfide, dimethyl: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (11.3%)
安全データ
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309090
- risk_code
- 22-36/37/38-36/38-20/22-10
- 消防法
- 危-4-2-III
- hazard_code
- Xn
- safety_code
- 26-37/39-16-24/25
- hazard_class
- 3.2
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationTrisulfide, dimethyl: ACTIVE
応用分野
用途有機合成原料。
天然物の起源Reported as occurring in the volatile portion of fresh onion juice; the major aroma component in cooked vegetables of the Brassica genus. Also reported found in kohlrabi, cabbage, onion, garlic, shallots, leek, peas, mustard, tomato, wheaten bread, cheeses, milk, cooked chicken, pork, beef, hop oil, beer, brandies, whiskey, sherry, grape wine, cocoa, coffee, roasted peanuts, mushrooms, broccoli, cauliflower, brussels sprouts, radishes, pumpkin, sweet corn, asparagus, black tea, shellfish and squid.
使用Dimethyl trisulfide is reported as a major aroma component in cooked Brassicaceous vegetables. Trap baits containing dimethyl trisulfide have been used to capture Calliphora loewi and other blowflies. Dimethyl trisulfide along with dimethyl sulfide and dimethyl disulfide have been confirmed as volatile compounds given off by the fly-attracting plant known as dead-horse arum (Helicodiceros muscivorus). These flies are attracted to the odor of fetid meat and help pollinate this plant.
調製方法
製造方法It is produced by the microorganism, L. cremoris S2.
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