间甲酚
间甲酚用途
间甲酚名称
[ CAS 号 ]:
108-39-4
[ 中文名 ]:
间甲酚
[ 英文名 ]:
m-Cresol
[中文别名 ]:
[英文别名 ]:
- m-methyl-PhOH
- 3-Hydroxytoluene
- m-Me-C6H4-OH
- meta-cresol
- 3-cresol
- 1-Hydroxy-3-methylbenzene
- EINECS 203-577-9
- 3-MeC6 H4OH
- Phenol,3-methyl
- 3-methyl-phenol
间甲酚物理化学性质
[ 密度 ]:
1.0±0.1 g/cm3
[ 沸点 ]:
202.3±0.0 °C at 760 mmHg
[ 熔点 ]:
8-10 °C(lit.)
[ 分子式 ]:
C7H8O
[ 分子量 ]:
108.138
[ 闪点 ]:
86.1±0.0 °C
[ 精确质量 ]:
108.057518
[ PSA ]:
20.23000
[ LogP ]:
1.94
[ 外观性状 ]:
透明至略琥珀色液体
[ 蒸汽密度 ]:
3.72 (vs air)
[ 蒸汽压 ]:
0.2±0.4 mmHg at 25°C
[ 折射率 ]:
1.546
[ 储存条件 ]:
库房通风低温干燥,与氧化剂分开存放
[ 稳定性 ]:
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, strong acids, aluminium, aluminium alloys. Air and light sensitive. Hygroscopic.
[ 水溶解性 ]:
20 g/L (20 ºC)
间甲酚MSDS
间甲酚毒性和生态
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GO6125000
- CHEMICAL NAME :
- m-Cresol
- CAS REGISTRY NUMBER :
- 108-39-4
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 47
- MOLECULAR FORMULA :
- C7-H8-O
- MOLECULAR WEIGHT :
- 108.15
- WISWESSER LINE NOTATION :
- QR C1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 242 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Gastrointestinal - peritonitis
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >710 mg/m3/1H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 828 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 168 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 450 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2050 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 280 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 42 gm/kg/28D-C
- TOXIC EFFECTS :
- Brain and Coverings - changes in brain weight Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 101 gm/kg/28D-C
- TOXIC EFFECTS :
- Brain and Coverings - changes in brain weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2 mg/m3/24H/6W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other hydrolases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2280 mg/kg/20W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 134 gm/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
MUTATION DATA
- TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Human HeLa cell
- REFERENCE :
- BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 32,220,1984 *** REVIEWS *** ACGIH TLV-TWA 22 mg/m3 (5 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 47,75,1978 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 MSHA STANDARD-air:TWA 5 ppm (22 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,61,1971 OSHA PEL (Gen Indu):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 5 ppm (22 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 5 ppm (22 mg/m3);Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO m-CRESOL-air:10H TWA 2.3 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84497 No. of Facilities: 1317 (estimated) No. of Industries: 16 No. of Occupations: 20 No. of Employees: 11161 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84497 No. of Facilities: 144 (estimated) No. of Industries: 5 No. of Occupations: 11 No. of Employees: 5615 (estimated) No. of Female Employees: 1174 (estimated)
间甲酚安全信息
[ 符号 ]:
GHS05, GHS06
[ 信号词 ]:
Danger
[ 危害声明 ]:
H301 + H311-H314
[ 警示性声明 ]:
P280-P301 + P310-P305 + P351 + P338-P310
[ 个人防护装备 ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ 危害码 (欧洲) ]:
T:Toxic
[ 风险声明 (欧洲) ]:
R24/25;R34
[ 安全声明 (欧洲) ]:
S36/37/39-S45-S36/37
[ 危险品运输编码 ]:
UN 2076 6.1/PG 2
[ WGK德国 ]:
1
[ RTECS号 ]:
GO6125000
[ 包装等级 ]:
II
[ 危险类别 ]:
6.1
[ 海关编码 ]:
2907121100
间甲酚合成路线
间甲酚上下游产品
间甲酚上游产品
间甲酚下游产品
间甲酚制备
在20世纪50年代以前,间甲酚的主要来源是从炼焦副产煤焦油和石油精炼碱渣中回收,但回收量很小,不能满足工业需要。以后发展了间甲酚的合成法,其工艺路线有两条:一是以甲苯为原料,经磺化碱熔合成;另一种是异丙基甲苯法,联产丙酮。20世纪90年代初,我国由美国引进这一技术,在北京燕山建立装置投产。这套装置除生产1.2万吨/年主产品间甲酚外,还联产0.99万吨丙酮。与其他方法相比,这套装置生产的产品质量高,产品比例可以自由调节。
1.甲苯磺化碱熔法
由甲苯和硫酸(98%)进行反应(100~110℃),然后升温至150℃,继续加入甲苯,接着升温至190℃进行异构化,最后碱熔得甲酚。其组成如下:苯酚3.1%,对甲苯酚37.4%,邻甲苯酚4.7%,间甲苯酚54.8%。
上述反应所得的间、对甲酚用高效蒸馏塔重蒸,切割出201~208℃的窄馏分,即得到间、对甲酚等的混合物;将此物料用苯稀释后加入尿素,在-10℃下反应1h,离心抽滤,用-10℃的苯或甲苯洗涤2次,得到间甲酚-尿素的白色固体配合物。然后在15~80℃用甲苯水解配合物,取上面液层,在精馏塔内于常压下蒸出甲苯和水后,在真空度0.1 MPa下切取91~104℃馏分,即得含量为95%以上的间甲酚。本法是最早的工业化方法,工艺路线成熟,国外早期采用此法生产。但由于此法耗用大量酸碱,因此三废量大,设备腐蚀严重,且工艺过程中需多次处理固体物料,使生产连续化较困难,而且质量差,在技术、经济上不如异丙基甲苯法优越。
2.异丙基甲苯法
以甲苯为原料,在催化剂存在下用丙烯进行烃化反应,再经氧化、酸解而得。反应方程式分述见图。
烷基化
烷基化以三氯化铝为催化剂(用量为1%~2%),反应温度85~115℃,丙烯/甲苯=0.4~0.6(mol),在此条件下可以获得收率较高的间位异构体。
氧化
异丙基甲苯氧化所用氧化剂有空气、纯氧或过氧化氢,一般以空气氧化比较经济。氧化反应在引发剂(过氧化苯甲酰或偶氮二异丁腈)存在下进行,加入量为异丙基甲苯质量的1%左右,反应温度138~140℃,反应时间130~150 min,通气量按理论过量5%;反应液pH值控制在5左右,氧化深度控制15%,在此条件下总的异丙基甲苯氢过氧化物约为85%~90%。
分解
异丙基甲苯过氧化氢在硫酸存在下分解为甲酚和丙酮。此法合成的混甲酚,间、对二异构体大致为6:4,经酸分解后的分解液组成大致为丙酮34.2%,间、对混甲酚30.7%,异丙基甲苯6.9%,α-甲基苯乙烯3.9%,过氧化物4.4%。
分离精制 邻甲酚与间、对甲酚沸点差较大,选择适当设备即可分离,但间甲酚(202.9℃)和对甲酚(202.5℃)沸点很接近,不能采用分馏法分离。采用异丁烯烷基化法可以得到良好效果,其工艺过程为:将混甲酚在催化剂存在下用异丁烯进行烃化,得到二叔丁基间甲酚和二叔丁基对甲酚混合物。
甲酚叔丁基化所得产物是一种复杂的混合物,其中除含有单叔丁基甲酚异构体、二叔丁基异构体外,尚有未反应的甲酚和异丁烯聚合物,利用其沸点差异,可将其蒸馏分离。分离后所得的4,6-二叔丁基间甲酚,在催化剂存在下,经加热至202℃,可脱烃分解为间甲酚和异丁烯,所得产品间甲酚含量可达98%,以上,回收率达95%左右。异丁烯回收率在95%以上,可以循环套用。用此法分离间甲酚,还可联产2,6-二叔丁基对甲酚抗氧剂。
3.间甲苯胺经重氮化、水解即可得到间甲酚,然后再经水蒸气蒸馏,乙醚萃取,减压蒸馏等工序进行精制。其反应方程式类同邻甲酚。
4.异丙基甲苯法 以甲苯为原料,在催化剂存在下,用丙烯进行烃化反应,再经氧化、酸解而得,其主要反应式如下。
烷基化反应
烷基化以三氯化铝为催化剂(用量为1%~2%),反应温度85~115℃,丙烯/甲苯=0.4~0.6(mol),在此条件下可以获得收率较高的间位异构体。
氧化反应
异丙基甲苯氧化所用氧化剂有空气、纯氧和过氧化氢。一般以空气氧化比较经济。氧化反应在引发剂(过氧化苯甲酰或偶氮二异丁腈)存在下进行,加入量为异丙基甲苯质量的1%左右,反应温度138~140℃,反应时间130~150min,通气量按理论过量5%;反应液pH值控制在5左右,氧化深度控制15%,在此条件下总的异丙基甲苯氢过氧化物收率约为85%~90%。
分解反应
异丙基甲苯过氧化氢在硫酸存在下,分解为甲酚和丙酮。此法合成的混甲酚中,间、对二异构体的比例大致为6∶4。经酸分解后的分解液的组成大致为;丙酮34.2%,间、对混甲酚80.7%,异丙基甲苯6.9%,α-甲基苯乙烯3.9%,过氧化物4.4%。
分离精制 邻甲酚与间、对甲酚沸点差较大,选择适当设备即可分离,但间甲酚(202.9℃)和对甲酚(202.5℃)沸点很接近,不能采用分馏法分离。采用异丁烯烷基化法,可以得到良好效果。其工艺过程为:将混甲酚在催化剂存在下,用异丁烯进行烃化,得到二叔丁基间甲酚和二叔丁基对甲酚混物,其反应式如下
甲酚叔丁基化所得产物是一种复杂的混合物,其中除含有单叔丁基甲酚异构体、二叔丁基异构体外,尚有未反应的甲酚和异丁烯聚合物,利用其沸点差异,可将其蒸馏分离。分离后所得的4,6-二叔丁基间甲酚,在催化剂存在下,经加热至202℃,可脱烃分解为间甲酚和异丁烯,所得产品间甲酚含量可达98%以上,回收率达95%左右。异丁烯回收率在95%以上,可以循环套用。用此法分离间甲酚,还可联产2,6-二叔丁基对甲酚抗氧剂。
间甲酚海关
[ 海关编码 ]: 2907121100
[ 中文概述 ]:
HS: 2907121100. 间甲酚. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最低关税:5.5%. 普通关税:30.0%
[ 申报要素 ]: 品名, 成分含量, 用途
[ Summary ]:
HS: 2907121100. m-cresol. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tarrif:5.5%. general tariff:30.0%
间甲酚文献
Nat. Commun. 5 , 5079, (2014)
The remarkable stability of peptide nucleic acids (PNAs) towards enzymatic degradation makes this class of molecules ideal to develop as part of a diagnostic device. Here we report the development of ...
Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrinsBioorg. Med. Chem. 17 , 896-904, (2009)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).J. Med. Chem. 48 , 3269-79, (2005)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...
相关化工产品/化学物质:
推荐生产厂家/供应商:
公司名:上海化源世纪贸易有限公司
区域:上海市普陀区
价格:
联系人:徐经理
产品详情:间甲酚
公司名:上海吉至生化科技有限公司
区域:上海市奉贤区
价格:
¥78.0/500g
联系人:刘佳
产品详情:间甲酚
公司名:上海源溪生物科技有限公司
区域:上海市浦东新区
价格:
¥需询单/1g
联系人:赖经理
产品详情:Metacresol
公司名:上海阿拉丁生化科技股份有限公司
区域:上海市浦东新区
价格:
¥需询单/1mg
¥需询单/1g
¥需询单/1g
¥需询单/1g
联系人:阿拉丁
产品详情:间甲酚
公司名:中山市迪欣化工有限公司
区域:中山市三角镇
价格:
¥50.0/200kg
联系人:陈雪萍
产品详情:间甲酚
查看所有供应商请点击:
相关化合物
【间甲酚】化源网提供间甲酚CAS号108-39-4,间甲酚MSDS及其说明、性质、英文名、生产厂家、作用/用途、分子量、密度、沸点、熔点、结构式等。CAS号查询间甲酚上化源网,专业又轻松。>>电脑版:间甲酚
标题:间甲酚_MSDS_用途_密度_间甲酚CAS号【108-39-4】_化源网 地址:https://m.chemsrc.com/mip/cas/108-39-4_123255.html