CAS 100-51-6 MFCD00004599-Benzyl Alcohol 苯甲醇 TAO{mole}

Benzyl Alcohol 苯甲醇

CAS 100-51-6 MFCD00004599

化学结构图

SMILES: OCc1ccccc1

化学属性

Mol. Formula	C7H8O
Mol. Weight	108.14
Density	1.045
Refractive index	1.5380 to 1.5430
Boiling Point	203-205°C at 760 mmHg
Melting Point	-15.3°C
Flash Point	93.89°C
TSCA	Yes
Autoignition Point	817 °F
Vapor Density	3.7 (vs air)
Vapor Pressure	13.3 mmHg ( 100 °C)
Solubility	溶于水，易溶于醇、醚、芳烃。
pH	:A

别名和识别编码

Chemical Name	Benzyl Alcohol
Synonym	Benzyl alcohol {LY} Benzyl alcohol {} {LY} Benzyl alcohol {} {} {LY} Benzyl alcohol {} {} {} {LY} Benzyl alcohol {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl alcohol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	100-51-6
EC Number	202-859-9
Beilstein Registry Number	878307
MDL Number	MFCD00004599
Reaxys-RN	878307
PubChem Substance ID	87565187
Merck Number	1124
Chemical Name Translation	苯甲醇
Wiswesser Line Notation	Q1R
LabNetwork Molecule ID	LN00163691
InChI	InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
Canonical SMILES	OCC1=CC=CC=C1

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分类

{SNA} 2009/48/EC (Directive on the Safety of Toys), A - D, A-F, Additional Standards, Alcoholic & Nonalcoholic Beverages, Alcohols, Alcohols and Phenols, Alphabetical, Analytical Standards, Antioxidants & Preservatives, Beans, Certified Reference Materials (CRMs), Cranberry, E numbers (Food Additives), E1000–E1599 (additional chemicals), E1519,
{SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
{SNA} A -

产品应用

有机合成,明胶、干酪素(热时)、乙酸纤维素及虫胶等的溶剂，显微镜用包埋材料，测维生素B12的含量。

安全信息

GHS Symbol

WGK Germany1

Hazard Codes 9

Hazard statements

H332 Harmful if inhaled 吸入有害
H302 Harmful if swallowed 吞食有害
H315 Causes skin irritation 会刺激皮肤
H302+H312+H332
H302+H332
H319 Causes serious eye irritation 严重刺激眼睛

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSDN3150000

Signal word Warning

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；

Risk Statements

R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

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。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
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
P301+P312+P330
P302+P352+P312+P362+P364
P304+P340
P304+P340+P312
P305+P351+P338
P313 Get medical advice/attention. 获取医疗咨询/就医
P501 Dispose of contents/container to..… 处理内容物/容器.....

Packing GroupIII

UN Number 3334

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Labor

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 75,702,1986

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 10 gm/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - muscle weakness
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 625 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 16,1,1920

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 4 ug/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-343,1989

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 21 mg/disc
REFERENCE :
   OIGZDE Osaka-shi Igakkai Zasshi.  Journal of Osaka City Medical Association.
    (Osaka-shi Igakkai, c/o Osaka-shiritsu Daigaku Igakubu, 1-4-54 Asahi-cho,
   Abeno-ku, Osaka, 545, Japan) V.24-    1975- Volume(issue)/page/year:
   34,267,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 250 mg/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-343,1989

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   24,181,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 6 gm/kg
SEX/DURATION            : female 6-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis.  (Alan R. Liss, Inc.,
   41 E. 11th St., New York, NY 10003)  V.1-    1980- Volume(issue)/page/year:
   7,29,1987

其他信息

FEMA:2137
方法三:以氯化苄为原料，在碱的催化作用下加热水解而得。香料级苄醇的规格（QB792-81）：相对密度1.041-1.046，折光率1.538-1.541，沸程203-206℃馏出量在95%以上，溶解度全溶于30倍容量的蒸馏水中，含醇量≥98%，含氯试验（N.F）为副反应。原料消耗定额：氯化苄1600kg/t、纯碱1000kg/t。
下游产品:磷酸精胺酸 --> 苯甲酸苄酯 --> 2-醛基-5-苄氧基-1氢-吡咯[3,2-B]吡啶 --> 3-氨基-5-氟吡啶 --> 2-羟基-4,6-二氨基嘧啶 --> O-6-苄基鸟嘌呤 --> 乙酸苄酯 --> 乙氰菊酯 --> 3-氨基-5-羟基吡啶 --> 5-苯甲氧基吡啶-3-胺 --> 二苯基N,N'-二异丙基亚磷酰胺 --> 甲酸苄酯 --> 4-苄氧基吡啶 N-氧化物 --> 5-溴-2-氯-4-(苯基甲氧基)-嘧啶 --> 6-苄胺基嘌呤 --> 4-苄氧基-2-氯嘧啶,95% --> 6-苄氧基嘌呤 --> 4-苄氧基-2(1H)-吡啶酮 --> 织物斑点清除 --> 3-苯甲氧基-5-溴吡啶 --> 2,4-二苄氧基-5-溴嘧啶 --> 偶氮苯 --> 胍立莫司 --> 肉桂酸苄酯 --> 异丁酸苄酯 --> 丙酸苄酯 --> 氯乙酸苄酯 --> 苄醚 --> 盐酸去氧肾上腺素 --> Α-甲基苄基乙酸酯 --> 双苯甲醇-β-氯乙基醚 --> 苯磺酸甲酯 --> 苯海拉明 --> 丁酸苯甲酯 --> (E)-2-甲基-2-丁烯酸苯甲酯 --> 苄基正丁基醚 --> Α-羟基苯丁酸苯基甲基酯 --> 3-甲基丁酸苯甲酯
微有芳香气味，灼烧味。可燃，自燃点436℃。久贮可受空气中氧化而成苯甲醛，故有苦杏仁气味。易溶于丙酮，溶于醇、醚及氯仿，微溶于水（1份苯甲醇可溶于40份水）。有刺激性。天然存在于素馨花香油；伊兰伊兰油；月下香油等物质中，以游离态或酯类形式存在。
蒸气压:13.3 mm Hg ( 100 °C)
刺激数据:
作用与用途:苯甲醇用作药膏的防腐剂，纤维、尼龙丝及塑料薄膜的干燥剂，聚氯乙烯的稳定剂，照相显影剂，醋酸纤维、墨水、涂料、油漆、环氧树脂涂料、染料、酪蛋白、虫胶及明胶等的溶剂，制取苄基酯或醚的中间体。也用于制取香料和调味剂（多数为脂肪酸的苯甲醇酯），以作为肥皂、香水、化妆品和其他产品中的添加剂。由于与石英和羊毛纤维具有几乎相同的折射率，因此用作石英和羊毛纤维的鉴别剂。香料工业中用作定香剂和稀释剂苯甲醇的羟基很活泼，它可以与苯反应生成二苯甲烷，与丙烯腈反应生成N-苄基丙烯酰胺（Ritter反应），也可以与卤化磷和氢卤酸反应生成卤化苄。卤化苄和苯甲醇都是苄基（苯甲基）化试剂，用于给羧酸和醇羟基上苄基保护基。苄基保护基很容易通过氢化脱去。此外，苯甲醇也容易被多种氧化剂氧化成苯甲酸，如果用硝酸氧化，随浓度和温度不同，可生成醛或酸。在注射青霉素的时候，为了防止患者疼痛感过强，常常用苯甲醇进行麻醉，这样打起来疼痛感就不会过于强烈，故苯甲醇又被称为“无痛水” 。然而，临床上很快发现一种普遍的副作用：臀肌挛缩症。这是因为苯甲醇不易被人体吸收，长期积留在注射部位，会导致周围肌肉的坏死，严重者，甚至影响骨骼的发育。2005年，国家药监局发文禁止苯甲醇作为青霉素溶剂注射使用。
爆炸物危险特性:180℃时, 与硫酸混合分解爆炸; 100℃以上,为溴化氢和铁催化聚合发热
上游原料:甲苯 --> 碳酸钾 --> 碳酸钠 --> 氯 --> 苄基氯
毒性分级:中毒
方法二:苯
防护措施:低毒，但大量附着在皮肤上时具有较强的毒性。大鼠经口LD50为3100mg/kg。生产设备要密闭，防止跑、冒、滴、漏。操作人员要穿戴防护用具。
类别:易燃液体
灭火剂:干粉、泡沫、砂土、水
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）苯甲醇食品食品用香料用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
用途一:用于制备花香油和