Salicylaldehyde 水杨醛

CAS 90-02-8 MFCD00003317

化学结构图

90-02-8
SMILES: O=Cc1ccccc1O

化学属性

Mol. FormulaC7H6O2
Mol. Weight122
Density1.146
Refractive index1.5710 to 1.5740
Vapor Density4.2 (vs air)
Boiling Point197
Vapor Pressure1 mmHg ( 33 °C)
Melting Point1-2
Flash Point90°C(lit.)
TSCAYes
Solubility略溶于水
Stability对光线、空气敏感

别名和识别编码

Chemical NameSalicylaldehyde
CAS Number90-02-8
EC Number201-961-0
Beilstein Registry Number471388
MDL NumberMFCD00003317
Synonym (2-HYDROXYPHENYL) METHANAL 2-Formylphenol 2-Formylphenol; 2-Hydroxybenzaldehy 2-HYDROXYBENZALDEHYDE 2-Hydroxybenzaldehyde 2-hydroxy-benzaldehyd 2-hydroxy-benzaldehyde o-Hydroxybenzaldehyde o-salicylaldehyde AKOS BBS-00003186 Benzaldehyde, 2-hydroxy- Benzaldehyde, o-hydroxy- FEMA 3004 SALICYLALDEHYDE, REDIST. SALICYLIC ALDEHYDE Salicyl aldehyde Salicylal Salicylaldehyde o-hydroxybenzaldehyde,o-formylphenol,2-formylphenol.sah,salicylal salicyladehyde 柳醛 水杨酸醛 水杨醛 水杨醛,邻羟苯甲醛 水杨醛/邻羟基苯甲醛 水楊酸醛(柳醛) 水楊醛 邻羟基苯甲醛,2-羟基苯甲醛
PubChem Substance ID87575800
Merck Number8326
Reaxys-RN471388
Chemical Name Translation水杨醛
Wiswesser Line NotationVHR BQ
LabNetwork Molecule IDLN00193316
InChIInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} Aldehydes,
  • {SNA} Aldehyde, Aldehydes, Aldehydes / DNPH / DAIH,
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O - Z, O-Z, Q-Z
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-Z, Q-Z
  • {SNA} Additiona
  • {SNA} Aldehyde, Aldehydes, Aldehydes / DNPH / DAIH, All Alphabetically Sorted, Alpha Sort, Analytical Standards, Analytical/Chromatography, Building Blocks, C7, Carbonyl Compounds,
  • {SNA} Alphabeti

产品应用

  • A multi-functional arene synthesis reagent.

相关文献及参考

  • For a review of the use of circular dichroism studies of salicylidene derivatives of chiral amines, to establish their absolute configurations using the "salicylidene chirality rule", see: Chem. Rev., 83, 359 (1983).
  • Short: II/27B
  • Merck: 14,8326 Beilstein: 8,IV,176
  • Merck: 14,8326
  • Short: II/2
  • A convenient method for the racemization of amino acids consists in heating in acetic acid with 0.05 equivalents of an aldehyde, such as salicylaldehyde: J. Org. Chem., 48, 843 (1983).

安全信息

Signal word Danger
GHS Symbol
WGK Germany2
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S29/35
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • S64
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P302+P350
  • P302+P352+P312+P362+P364
  • P305+P351+P338
  • P308+P311
  • P308+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P332+P313
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSVN5250000
Storage condition Air & Light Sensitive 密封阴凉避光保存。 储存温度2-8℃,充氩保存
Hazard Codes 6.1 Xn
Packing GroupIII
Hazard Class6.1(b)
UN Number 2810 3082
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 20 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533438

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 231 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHTHBK Chemotherapy (Basel).  (S. Karger Pub., Inc., 79 Fifth Ave., New
   York, NY 10003) V.13-    1968-  Volume(issue)/page/

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATIO

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,903,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 504 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 400 mg/kg
SEX/DURATION            : female 11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 38,209,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 400 mg/kg
SEX/DURATION            : female 11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 38,209,1982

Warnings 危险化学品

其他信息

  • 上游原料:氢氧化钠 --> 三氯甲烷 --> 水杨酸 --> 邻甲酚
  • 用途三:用作分析试剂,也用于有机合成
  • 图谱信息:2-羟基苯甲醛(90-02-8)红外图谱(IR1) 2-羟基苯甲醛(90-02-8)核磁图( 13 CNMR) 2-羟基苯甲醛(90-02-8)红外图谱(IR2) 2-羟基苯甲醛(90-02-8)质谱(MS)
  • 刺激数据:皮肤-兔子 500 毫克/24小时 中度
  • 方法一:由苯酚、三氯甲烷在苛性碱溶液存在下反应而得。
  • {Chemica
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 下游产品:对羟基苯甲醛 --> 氧茚 --> 1-苯并呋喃-2-羰酰氯 --> 5-(2-乙氧苯基)-1-甲基-3-丙基-1,6-二氢-7H-吡唑并[4,3-D]嘧啶-7-酮 --> 水杨醛肟 --> 苯并[b]呋喃-2-甲醛 --> 香豆素 --> 香豆素 7 --> 胺碘酮 --> 头孢克肟 --> 2-甲基苯并呋喃 --> 螺[1,3,3-三甲基吲哚-苯并二氢吡喃] --> 2-苯并呋喃羧基 酸乙酯 --> 邻羟基苯甲腈 --> 2-甲氧基苯甲醛 --> 6-甲基香豆素 --> 蔬果磷,水杨硫磷 --> D-别苏氨酸 --> 3-甲基氧杂萘邻酮 --> 3-乙酰氨基香豆素 --> 5-氯代水杨醛 --> L-苯甘氨酸 --> 铜螯合物催化剂 --> 布诺洛尔 --> 2-乙氧基苯甲醛
  • 有苦杏仁气味和焦灼味。溶于醇、醚和苯,微溶于水,遇硫
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 水杨醛 食品 食品用香料
  • 类别:有毒物品
  • 使用限量:FEMA(mg/kg):软饮料0.55;冷饮1.1;糖果1.8;焙烤食品6.3;胶姆糖11~18;酒类5.0;调味品20。 适度为限(FDA§172.515,2000)。
  • 方法二:由苯酚和氯仿在氢氧化钠溶液中反应而得。改进的制法是用邻甲苯酚为原料,光气化、氯化后进行水解,即获得水杨醛。
  • 用途五:该品为香料和其他有机合成的中间体。我国GB 2760-86规定为允许
  • 毒性分级:中毒
  • 用途二:有机合成原料,用于制造香豆素和配制紫罗兰等香精,也用作杀虫剂
  • 敏感性:Air & Light Sensitive
  • 蒸气压:1 mm Hg ( 33 °C)
  • 2-羟基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80112827 水杨醛;邻羟基苯甲醛;2-羟基苯甲醛 250ml 81.4元 2011/04/16 S0275 水杨醛 Salicylaldehyde 25G 124元 2011/04/16 S0275 水杨醛 Salicylaldehyde 500G 466元
  • 外观性质:无色澄清油状液体,有焦灼味及杏仁气味。
  • Sigma Aldrich:90-02-8(sigmaaldrich)
  • 毒性:GRAS(FEMA)。
  • Acros Organics:水杨醛 Salicylaldehyde, 99%(90-02-8)
  • 用途四:GB 2760--1996规定为允许使用的食用香料。主要用以配制肉桂和坚果类香精。
  • {Che
  • 急性毒性:
  • FEMA:3004
  • MSDS 信息:水杨醛(90-02-8).msds
  • 用途六:肼的检定。钪的光度测定。镍与钴的萃取分离。检验镍、铜、及杂醇与酮类的恶臭、有机合成。香料。
  • Salicylaldehyde is a multi-functional arene which can be used as a reagent for synthesis.
  • 参考质量标准:F

系列性分类