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3-N-프로피페놀

3-Propylphenol

HCID 69302
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
621-27-2
표준 SMILES
CCCc1cccc(O)c1
InChIKey
MPWGZBWDLMDIHO-UHFFFAOYSA-N
분자식
C9H12O
평균 분자량
136.19 g/mol
단동위원소 질량
136.088815

이름 및 식별자

우선 이름
3-Propylphenol
IUPAC
3-propylphenol
현지명
3-N-프로피페놀
영어명
3-n-Propylphenol
분자식
C9H12O
분자량
136.19

이름 및 동의어

3-n-Propylphenol3-Propylphenol621-27-2m-PropylphenolPhenol, 3-propyl-1-Hydroxy-3-n-propylbenzene593R721CICNSC-46998DTXSID10211145RefChem:95384DTXCID10133636210-675-5
이름 더 보기
3-N-프로피페놀m-n-Propylphenol3-Propylphenol, 99%
Phenol, m-propyl-3-propyl-phenolMFCD016321303-PropylphenoMETA-PROPYLPHENOL3-Propylphenol, AldrichCPRSCHEMBL216654CHEMBL467077

데이터베이스 식별자

CAS
621-27-2
PubChem CID
69302
DTXSID
DTXSID10211145
ChEMBL
CHEMBL467077
ChEBI
CHEBI:233241
UNII
593R721CIC
EC Number
210-675-5
Nikkaji
J134.393I

물성

구조 계산 물성

XLogP
2.9
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
10
형식 전하
0
복잡도
90

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1236;1285

2250;2246

물리화학적 성질

녹는점
26 °C · 26°C
끓는 점
229 · 229-231°C
밀도
0.987 · 0.9870
굴절률
1.525 · 1.5250
인화점
229 · 229-231°C
저장 조건
2 · 2-8°C
산도 계수 (pKa)
10.07 · 10.07±0.10(Predicted)
물리적 상태
liquid
냄새
트뤼플
수용성
물에 용해됩니다.
InChI
1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3
InChIKey
MPWGZBWDLMDIHO-UHFFFAOYSA-N
SMILES
CCCc1cccc(O)c1
LogP
3.062 · 3.062 (est)
EPA
3 · Phenol, 3-propyl- (621-27-2)

화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

Danger

H302+H312 (57.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal];H302 (94.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (57.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (63.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (36.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (38.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (36.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (57.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: Phenol, 3-propyl-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;b. the chemical is intended to be introduced at > 1% concentration;c. the concentration of the chemical exceeds or is intended to exceed 0.1% in leave-on cosmetic products, 0.4% in air fresheners and rinse-off cosmetic products and 0.7% in other household products;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients
General Manufacturing InformationPhenol, 3-propyl-: ACTIVE

응용 분야

용도3-n-Propylphenol, is used to produce 2,4,5,6-tetrabromo-3-propylphenol. This reaction will need reagent bromine, aluminum powder.

공급사61 곳

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
Hebei Jingbo New Material Technology Co., Ltd+86-19931165850 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
HebeiShuoshengImportandExportco.,Ltd+86-18532138899 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业(陕西)有限公司

관련 반응

8건
반응 기록 만들기
HRID 120912 반응식
HRID 120912반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 445426 반응식
HRID 445426반응물로uspto-grants-2013_07
HRID 602828 반응식
HRID 602828반응물로uspto-grants-2011_03
HRID 684306 반응식
HRID 684306반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 865879 반응식
HRID 865879생성물로uspto-grants-1996_10
HRID 1517726 반응식
HRID 1517726반응물로uspto-grants-2012_07
HRID 2035411 반응식
HRID 2035411반응물로uspto-grants-2013_11
HRID 2389299 반응식
HRID 2389299반응물로uspto-grants-2012_09

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

Liquid

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (94.1%);Acute Tox. 4 (57.4%);Skin Corr. 1C (63.2%);Skin Sens. 1B (36.8%);Eye Dam. 1 (38.2%);Acute Tox. 4 (36.8%);STOT SE 3 (57.4%)

규제 정보

Regulatory Information · 2건

Chemical: Phenol, 3-propyl-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;b. the chemical is intended to be introduced at > 1% concentration;c. the concentration of the chemical exceeds or is intended to exceed 0.1% in leave-on cosmetic products, 0.4% in air fresheners and rinse-off cosmetic products and 0.7% in other household products;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
3145
risk_code
20/21/22-36/37/38-34
hazard_code
C,Xn
safety_code
26-36/37/39-45
포장분류
III
위험 등급
8
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 OralSkin Corr. 1CSTOT SE 3
스토리지 클래스
8A - Combustible corrosive hazardous materials
029-81310890 18165209495 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Aladdin Scientific[email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
吉良化学21-62165282 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
常州沃邦生物科技有限公司18602586511 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
BOC Sciences16314854226 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
河北赛利生物科技有限公司18932901920 · [email protected]
BOC Sciences[email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
石家庄艾莱斯医药科技有限公司0311-85150550 18932901920 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海茉馥医药科技有限公司+86-188369842 +86-15618151133 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]