Safrole 黄樟素

CAS 94-59-7 MFCD00005841

化学结构图

94-59-7
SMILES: C=CCc1ccc2c(c1)OCO2

化学属性

Mol. FormulaC10H10O2
Mol. Weight162.20
Refractive indexn20/D 1.537(lit.)
Density1.095 g/mL at 25 °C(lit.)
Boiling Point232-234 °C(lit.)
Melting Point11.2 °C(lit.)
Vapor Pressure1 mmHg ( 63.8 °C)
Flash Point97 ºC
Solubility不溶, <0.1 G/100 ML AT 18 ºC
Appearance 无色或微黄色液体。凝固点约11℃，沸点232-234℃，相对密度（20/4℃）1.096，折光率（nD20）1.5383。易溶于醇，与氯仿、醚能混溶，不溶于水和甘油。有樟木气味。

别名和识别编码

Chemical NameSafrole
Synonym Shikomol 3,4-METHYLENEDIOXYALLYLBENZENE 4-allyl-1,2-methylenedioxybenzene 1-Allyl-3,4-methylendioxy-benzol {Chem ALLYLDIOXYBENZENE METHYLENE ETHER 5-All {uni_hamburg} 4-Allylpyrocatechol formaldehyde acetal Benzene, 1,2-methylenedioxy-4-allyl 黃樟油精 3-(3,4-Methylenedioxyphenyl)prop-1-ene 4-Allyl-1,2-(methylenedioxy)-benzene 3-[3,4-(METHYLENEDIOXY)PHENYL]-1-PROPENE 黄樟素 Benzene, 1,2-methylenedioxy-4-allyl- 1-烯丙-3,4-亞甲二氧苯 5 4-烯丙-1,2-亞甲二氧苯 5-(prop-2-enyl)-1,3-benzodioxole (1,2-(Methylenedioxy)-4-allyl Allylpyrocatechol methylene ether Allyldioxybenzene methylene ether (Allyldioxy)benzene methylene ether 4-A 4-ALLYL-1,2-METHYLENEDIOXYBENZENE 1,2-(Methylenedioxy)-4-allylbenzen M-ALLYLPYROCATECHIN METH 1-Allyl-3,4-methylenedioxybenzene 1-Allyl-3,4-(methylendioxy)-benzol Safrole 5-allyl-benzo-1,3-dioxole M-ALLYLPYR 5-(2-Propenyl)-1,3-benzodioxole m-Allylpyrocatechin methylene ether 5-allyl-benzo(1,3)dioxole 4-烯丙基-1,2-亚甲基三氧基苯 Rhyuno oil 3,4-Methylenedi { 1-ally 3-Benzodioxole,5-(2-propenyl)-1 Safrol {uni_ 1,2-methylenedioxy-4-allylbenzene {un m-Allylpyr 4-烯丙基-1,2-亚甲基二氧基苯 5-烯丙基-1,3-苯并二噁茂 Allylcatechol methylene ether 1,3-Benzodioxole,5-(2-propenyl)- 4-Allyl-1,2-(methylenedioxy)benzene 4-Allyl-1,2-methylendioxybenzol SAFROLE RCRA waste number U203
EC Number202-345-4
Beilstein Registry Number0136380
MDL NumberMFCD00005841
PubChem Substance ID5144
CAS Number94-59-7
Alfabeta NameMETHYLENEDIOXYPHENYLPROPENE 3341[]()----,
Chemical Name Translation黄樟素
Merck Number13,8395
Wiswesser Line NotationT56 BO DO CHJ G2U1
InChIInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {SNA} Analytical Standards, Analytical/Chromatography, CRM for chromatography, Certified Reference Materials (CRMs), Natural Products, Organic CRMs Alphabetical, Organic CRMs TraceCERT

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/38A Title: Refractive Indices of Inorganic, Organometallic, and Organononmetallic Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38A Year: 1996 Keyword: organicmetallic compounds; inorganic compounds; refractive index; liquids; mixtures ISBN: 3-540-60539-8 ISBN: 978-3-540-60539-3 Internet Resource: DOI:10.1007/b55612 RefComment: VII, 400 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H350 May cause cancer 可能致癌
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSCY2800000
Precautionary statements
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
Signal word Danger
Hazard Codes T
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
Risk Statements
  • R45 May cause cancer 可能致癌
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R22 Harmful if swallowed 吞咽有害
UN Number 1851/3082 UN 3082 9/PG 3 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 gm/kg/94W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
   Liver - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   37,1883,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 480 mg/kg
                          female 12-18 day(s) after conception
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Reproductive - Tumorigenic effects - transplacental tumorigenesis
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   39,4378,1979

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 212 gm/kg/1Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Liver - angiosarcoma
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,1124,1983

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 183 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Vascular - BP elevation not characterized in autonomic section
   Vascular - BP lowering not characterized in autonomic section
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 35,342,1895

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2350 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 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: 12,983,1974

TYPE OF TEST

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Phar

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 54800 ug/L
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1981- Volume(issue)/page/year:
   5,587,1985

TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,1613,1984

TYPE OF TEST            : Specific locus test
ROUTE OF EXP

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 175 ppm
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,901,1979

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 15400 ug/L
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderb

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   BJCAAI British Journal of Cancer.  (

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/ye

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 1 gm/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1981- Volume(issue)/page/year:
   1,712,1981

Restrict 易制毒化学品

其他信息

  • Sigma Aldrich:94-59-7(sigmaaldrich)
  • 方法一:黄樟脑天然存在于黄樟油、大叶樟油、南美巴西黄樟油、北美黄樟油等天然芳香油中，可从天然芳香油中分离制得，将黄樟油冷却，使黄樟脑析出，再经蒸馏精制得。
  • 用途二:黄樟脑能除肥皂的油脂臭，常作廉价的香料使用于皂用香精中。但最主要的用途是作为洋茉莉和香兰素的原料。
  • 用途一:用作皂用香料，也用于制取胡椒醛
  • 蒸气压:1 mm Hg ( 63.8 °C)
  • 上游原料:黄樟油
  • color:yellow
  • 图谱信息:黄樟素(94-59-7)核磁图( 1 HNMR) 黄樟素(94-59-7)质谱(MS) 黄樟素(94-59-7)红外图谱(IR2) 黄樟素(94-59-7)核磁图( 13 CNMR) 黄樟素(94-59-7)红外图谱(IR1)
  • 下游产品:香兰素 --> 乙基香兰素 --> 胡椒醛 --> 4-丙烯基-2-甲氧基苯酚 --> 黄莲素 --> 异黄樟素 --> 增效醚
  • 黄樟素价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K8413001 黄樟素(易制毒-1) 250ml 102.3元 2011/08/23 69022180 黄樟油素(易制毒-1) 250ml 102.3元 2011/08/23 69022160 黄樟油素（易制毒-1） 100ml 18.4元
  • MOL 文件:94-59-7.mol
  • Acros Organics:黄樟醚 Safrole,97%(94-59-7)
  • MSDS 信息:5-Allyl-1,3-benzodioxole(94-59-7).msds

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Ephedra sinica - Phytochemicals by Plant (Food/Spice/Herb)
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Ocimum basilicum (Basil) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Certified Reference Materials (CRMs) - Analytical Standards
  4. Organic CRMs TraceCERT - Certified Reference Materials (CRMs)
  5. CRM for chromatography - Organic CRMs TraceCERT
  6. Organic CRMs Alphabetical - CRM for chromatography

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