CAS 136-77-6 MFCD00002284-4-Hexylbenzene-1,3-diol 4-己基间苯二酚 -LabNovo

4-Hexylbenzene-1,3-diol 4-己基间苯二酚

CAS 136-77-6 MFCD00002284

化学结构图

SMILES: CCCCCCC1C=CC(O)=CC=1O

化学属性

Mol. Formula	C12H18O2
Mol. Weight	194.27
Boiling Point	333-335°C at 760 mmHg
Melting Point	65-67°C
Flash Point	>100°(230°F)
TSCA	Yes
Solubility	0.05 G/100 ML (18 ºC)
Appearance	550mg/kg，ADI不作限制性规定(FAO/WHO，1995)。 50 白色或黄白色针状结晶或粉末，有刺激性臭味。熔点68～70℃，沸点333～335℃，198～200℃(1.733～1.867kPa)，178～180℃(800～933Pa)。能与甲醇、乙醇、丙酮、氯仿、苯、乙醚和植物油互溶，微溶于石油醚和水。收敛性极强，置于舌头上即能使之失去知觉。大白鼠经口LD

别名和识别编码

Chemical Name	4-Hexylbenzene-1,3-diol
Synonym	Hexylresorcinol {LY} Hexylresorcinol {} {LY} Hexylresorcinol {} {} {LY} Hexylresorcinol {} {} {} {LY} Hexylresorcinol {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexylresorcinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
CAS Number	136-77-6
PubChem Substance ID	87570583
EC Number	205-257-4
Beilstein Registry Number	6(2)904
MDL Number	MFCD00002284
Reaxys-RN	2048312
Merck Number	4712
Chemical Name Translation	4-己基间苯二酚
Wiswesser Line Notation	QR CQ D6
LabNetwork Molecule ID	LN00335318
Canonical SMILES	OC1=CC=C(CCCCCC)C(O)=C1

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品牌质保精细包装现货库存一流品牌服务

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H335 May cause respiratory irritation 可能导致呼吸道刺激
H302 Harmful if swallowed 吞食有害
H319 Causes serious eye irritation 严重刺激眼睛

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes Xn

RTECSVH1575000

Precautionary statements

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。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P302+P352+P332+P313+P362+P364
P305+P351+P338+P337+P313
P301+P312+P330
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。

Signal word

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；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R22 Harmful if swallowed 吞咽有害

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 64 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Endocrine - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-330,1988

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co.,
   1956-59  Volume(issue)/page/year: 5,148,1959

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 28,609,1931

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1040 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1946-  Volume(issue)/page/year:
   30,147,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURA

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ATMPA2 Annals of Tropical Medicine and Parasitology.  (Grune & Stratton,
   Inc., POB 6280, Duluth, MN 55806)  V.1-    1907-  Volume(issue)/page/year:
   32,

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 5 ug/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-330,1988

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 18 ug/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-330,1988

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 3 mg/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 188,111,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   ENDOAO Endocrinology (Baltimore).  (Williams & Wilkins Co., 428 E. Preston
   St., Baltimore, MD 21203) V.1-    1917-  Volume(issue)/page/year:
   57,466,1955

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

Sigma Aldrich:136-77-6(sigmaaldrich)
4-己基间苯二酚价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0139 4-己基间苯二酚 4-Hexylresorcinol 25G 487元 2010/06/21 197921000 4-己基间苯二酚 4-Hexylresorcinol 98% 100 GR 1837元 2010/06/21 197920250 4-己基间苯二酚 4-Hexylresorcinol 98% 25 GR 565元
方法一:将1/2量的己酸投入溶解锅，加入无水氯化锌，并加热搅拌，使混合物在120℃左右溶解；将另一半己酸投入缩合锅内，并加入间苯二酚，搅拌溶解；在120℃左右滴加上述氯化锌/己酸溶液，减压至93kPa，保温反应3h，同时蒸出反应生成的水；反应结束后将温度降至80℃，加水洗涤5次，移入蒸馏锅，先后经常压脱水、减压脱水、回收未反应的己酸，得缩合产物己酰间苯二酚。将锌汞齐加入己酰间苯二酚中，再加入工业盐酸，搅拌升温至75～80℃，自然升温至104～110℃，保温反应1.5～2.0h。降温至80℃，检查反应终点；反应完成后降温至40℃以下，分出还原物，水洗后减压蒸出水分，收集145～152℃(133～266Pa)馏分，得4-己基间苯二酚粗品，收率90%；粗品经石油醚重结晶即得成品。
上游原料:氯化锌 --> 间苯二酚 --> 己酸 --> 工业盐酸 --> 2',4'-二羟基苯己酮
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） 4-己基间苯二酚鲜水产品（仅限虾类）抗氧化剂按生产需要适量使用残留量≤1mg/kg
参考质量标准:FAO/WHO，1995 含量(以干基计)/% ≥98.0 熔程/℃ 62～67 酸度/% ≤0.05 硫酸盐灰分/% ≤0.1 汞/% ≤0.0003 镍/% ≤0.0002 间苯二酚及其他酚类正常铅/% ≤0.0005 重金属(以Pb计)/% ≤0.002 砷盐(以As计)/% ≤0.0003
Alfa Aesar:4-正己基间苯二酚,99% 4-n-Hexylresorcinol, 99%(136-77-6)
方法二:由已酰间苯二酚还原而得。将锌汞齐加入已酰间苯二酚中，再加入工业盐酸，搅拌升温至75-80℃，自然升温至104-110℃，保温反应1.5-2h，降温至80℃，检查反应终点。反应完成后降温至40℃以下，分出还原物，水洗，减压蒸去水分，收集145-152℃（0.133-0.267kPa）馏分，得4-已基间苯二酚粗品。收率90%。粗品用石油醚重结晶即得成品。
TCI Shanghai:4-正己基间苯二酚 4-Hexylresorcinol,>;98.0%(GC)(136-77-6)
Acros Organics:4-己基间苯二酚 4-Hexylresorcinol, 99%(136-77-6)
MSDS 信息:4-Hexyl-1,3-benzenediol(136-77-6).msds
用途三:该品为驱肠虫药。
用途二:抗氧化剂；色素稳定剂；酶褐变抑制剂；加工助剂。
用途一:4HR是一种能抑制褐变的新型抗氧护色剂，可用于防止虾类褐变，按生产需要适量使用，残留量不大于1mg／kg。
图谱信息:4-己基间苯二酚(136-77-6)质谱(MS) 4-己基间苯二酚(136-77-6)核磁图( 1 HNMR) 4-己基间苯二酚(136-77-6)红外图谱(IR2) 4-己基间苯二酚(136-77-6)红外图谱(IR1) 4-己基间苯二酚(136-77-6)核磁图( 13 CNMR)
海关编码:29072900
MOL 文件:136-77-6.mol

4-Hexylbenzene-1,3-diol 4-己基间苯二酚

CAS 136-77-6 MFCD00002284

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